167

        B -15.90695753982114 -4.950500162388289 1.473207270000041 
        B -15.90596879982112 5.128071927611713 1.435837240000041 
        O -14.70428696982112 5.80499179761171 1.562447220000041 
        B -13.50816694982115 5.128113977611711 1.733976590000041 
        O -13.53827607982113 3.746755607611708 1.824753010000041 
        B -14.72453342982113 3.040140747611705 1.725211150000041 
        O -15.89989011982117 3.747120877611706 1.538296360000041 
        C -14.73139001982114 1.493557487611713 1.783522680000041 
        C -13.53736267982113 0.7818447276117129 1.937893420000041 
        C -13.53756710982113 -0.6012663323882885 1.944109940000041 
        C -14.73179446982114 -1.314000752388287 1.796160330000041 
        C -15.92736829982113 -0.6022311623882886 1.654426920000041 
        C -15.92717028982113 0.7809180076117128 1.648191270000041 
        B -14.72537079982115 -2.860966682388298 1.750242930000041 
        B -8.357438729821205 8.012916777611707 1.661952080000041 
        O -15.90088693982113 -3.569091732388298 1.569278270000041 
        C -9.704269099821218 7.252802597611714 1.741297800000041 
        C -9.741999549821218 5.854925357611711 1.751540230000041 
        C -10.95110277982113 5.183165277611714 1.776544220000041 
        C -12.15955697982116 5.887885637611711 1.777357830000041 
        C -12.12169634982114 7.285783467611713 1.774682380000041 
        C -10.91246847982113 7.957577577611709 1.764206160000041 
        H -13.05510256982119 7.839501747611709 1.776167310000041 
        H -8.808781769821215 5.301201927611711 1.734972680000041 
        H -10.97338201982119 4.098157927611708 1.782257160000041 
        H -12.60698429982114 -1.148241512388288 2.056434520000041 
        H -12.60664387982112 1.329530197611711 2.045382140000041 
        H -16.85741429982124 -1.149937592388288 1.541236880000041 
        H -16.85704970982123 1.327863227611714 1.530105920000041 
        B -7.143465759821195 10.10191757761169 1.619681930000041 
        O -8.327216509821204 9.394878587611705 1.742649880000041 
        H -10.89016330982117 9.042604807611706 1.760255660000041 
        C -12.12183895982113 -7.106152032388289 1.812975770000041 
        C -12.16021688982114 -5.708257212388288 1.815826570000041 
        C -10.95201379982118 -5.003112402388289 1.816036530000041 
        C -9.742645439821217 -5.674403112388287 1.791716270000041 
        C -9.704377499821216 -7.072252742388288 1.780585290000041 
        C -10.91235283982114 -7.777475712388289 1.802595030000041 
        B -8.357324819821205 -7.831759322388291 1.699723130000041 
        O -7.163969009821195 -7.15377737238829 1.513608330000041 
        B -5.964552699821197 -7.83003247238829 1.363823910000041 
        O -5.970239959821197 -9.212000172388294 1.451260260000041 
        B -7.143269369821194 -9.920466822388303 1.646466060000041 
        O -8.327088699821203 -9.214162472388294 1.773162390000041 
        C -7.136557079821193 -11.46761637238832 1.686495600000041 
        C -5.943414919821199 -12.17906917238832 1.524403830000041 
        C -5.943409129821196 -13.56221546238832 1.517712840000041 
        C -7.136579859821194 -14.27514242238832 1.672948960000041 
        C -8.328173989821204 -13.56372486238832 1.846337570000041 
        C -8.328180939821202 -12.18061010238832 1.853017650000041 
        B -13.50904822982113 -4.948899572388289 1.770187950000041 
        O -14.70518114982118 -5.626821992388289 1.602563210000041 
        B -0.9390653298211955 -4.947369922388287 0.2154355600000395 region=qm
        C -2.257970249821194 -5.706611152388289 0.5015769100000365 
        C -2.270661799821194 -7.099228982388286 0.6291867500000364 
        C -3.447444929821182 -7.77016619238829 0.9095223100000364 
        C -4.647398759821192 -7.069763462388288 1.072504000000041 
        C -4.634753199821195 -5.677181712388286 0.9447625600000364 
        C -3.458085159821189 -5.006286242388286 0.6634988600000364 
        H -5.562073609821194 -5.127117712388287 1.068557190000041 
        H -1.343244589821201 -7.64924951238829 0.5060785400000364 
        H -3.450571139821182 -8.851155102388294 1.005717820000041 
        H -5.015426689821194 -14.10891765238832 1.384555850000041 
        H -5.015406109821195 -11.63114809238832 1.396492550000041 
        H -9.256876059821217 -14.11165419238832 1.969057080000041 
        H -9.256875619821217 -11.63386548238832 1.980906150000041 
        H -8.809632889821215 -5.120293462388289 1.775909400000041 
        H -10.88963580982115 -8.862493632388293 1.797831170000041 
        H -13.05502661982118 -7.66016751238829 1.813776200000041 
        C -4.635316099821194 5.861336937611711 0.9008448400000364 
        C -4.648131389821194 7.253941057611712 1.028456870000041 
        C -3.448500069821184 7.954567897611709 0.8641322600000364 
        C -2.271779419821194 7.283779617611712 0.5830236500000364 
        C -2.258764059821196 5.891079187611713 0.4564794300000407 
        C -3.458664759821186 5.190567687611711 0.6193398300000365 
        B -0.9397384298211955 5.131126827611711 0.1729829300000398 region=qm
        O 0.2620784601788027 5.807315397611713 0.04352332000003831 region=qm
        B 1.458167910178799 5.129339577611713 -0.1240892499999628 region=qm
        O 1.4279428601788 3.747541367611707 -0.20781222999996 region=qm
        B 0.2417071201788031 3.041521987611704 -0.1038654399999629 region=qm
        O -0.9338157098211954 3.749723137611706 0.07694944000003869 region=qm
        O 1.428491080178799 -3.566236742388296 -0.1746285499999602 region=qm
        B 9.002586250178783 8.010096487611708 0.2867082200000404 
        O 7.803421590178791 7.333790307611711 0.1354306600000398 
        H 11.51173385017887 -3.928858602388293 1.122084050000041 
        H 13.62345404017882 7.83016995761171 1.146900930000041 
        H 3.993614250178809 -3.917850732388291 -0.1350633899999601 
        B 0.2422644901788028 -2.859588182388295 -0.0750615699999613 region=qm
        O -13.53910395982117 -3.567137292388298 1.853734730000041 
        B -5.965037669821195 8.013223587611707 1.323325030000041 
        O -7.164213869821191 7.336053407611714 1.471185240000041 
        B 6.610085730178805 8.011711317611706 -0.05094589999996171 
        O -0.9330430098211955 -3.566532772388296 0.1123275800000372 region=qm
        C 5.263072910178807 7.252261717611713 -0.1327793299999604 
        C 5.224640020178803 5.854428447611714 -0.14452778999996 
        C 4.015234170178808 5.18325432761171 -0.1695387099999603 
        C 2.807089210178815 5.888494097611711 -0.1694928499999604 
        C 2.845605860178815 7.286394627611711 -0.16609305999996 
        C 4.055165750178809 7.957625837611709 -0.1550392599999603 
        H -3.454985759821189 -3.925357522388293 0.5665618600000364 
        H 1.912495110178807 7.84055465761171 -0.1671562099999604 
        H 6.157597250178805 5.300223477611714 -0.1285959299999604 
        H 3.992426260178809 4.098250207611706 -0.1758390899999601 
        H 11.51277626017887 4.105700137611709 1.083685600000041 
        H 9.405619340178783 5.307027257611713 0.5813454100000364 
        O 8.996808030178784 9.392154157611706 0.2000783100000399 
        H 11.51589275017887 9.031689477611707 0.6469830000000364 
        H -1.344542229821201 7.833934517611708 0.4590633300000405 
        H -10.97468604982117 -3.918103942388294 1.821932360000041 
        H -3.455379159821186 4.10957106761171 0.5232924900000364 
        H -5.56239709982119 5.311090327611714 1.025604050000041 
        B 7.823866870178793 10.10057958761169 0.004087640000038544 
        O -5.970755389821196 9.394741637611705 1.417804210000041 
        O 6.640200640178805 9.394180957611706 -0.1235288199999627 
        H 4.077907800178806 9.042632137611706 -0.1499692499999604 
        H -3.451783729821185 9.035571327611706 0.9601920800000364 
        C 2.844902580178816 -7.105334062388288 -0.1229932799999628 
        C 2.807229210178815 -5.707425162388286 -0.1271329199999603 
        C 4.015762780178807 -5.002864932388289 -0.1282281499999604 
        C 5.224782750178804 -5.674748612388288 -0.1036780999999627 
        C 5.262364330178804 -7.072613142388289 -0.0919599299999613 
        C 4.054068240178804 -7.777277452388288 -0.1129393399999629 
        B 6.609204650178808 -7.832782802388288 -0.01309952999996146 
        O 7.802543650178788 -7.15579638238829 0.1766626500000398 
        B 9.001771820178783 -7.832854152388289 0.3241404600000407 
        O 8.996092080178784 -9.214437082388294 0.2302017000000399 
        B 7.82324535017879 -9.921745942388302 0.02932649000003854 
        O 6.639413980178807 -9.214745902388294 -0.09324385999996131 
        C 7.830172380178788 -11.46851455238833 -0.02333840999996146 
        C 9.023484200178784 -12.18129747238832 0.1315026700000397 
        C 9.023615190178782 -13.56444916238832 0.12528251000004 
        C 7.830456570178788 -14.27606431238832 -0.03604083999996165 
        C 6.638691290178808 -13.56322492238832 -0.20219309999996 
        C 6.638553870178803 -12.18009773238832 -0.1959015399999604 
        B 1.458624320178799 -4.947534082388289 -0.08334725999996132 region=qm
        O 0.2626037201788029 -5.624409432388289 0.08881379000003869 region=qm
        C 12.70818239017881 -5.710400872388288 1.189629570000041 
        C 12.69515052017885 -7.10314863238829 1.063626690000041 
        C 11.51835125017885 -7.77403260238829 0.7829706800000364 
        C 10.31878148017887 -7.073410132388289 0.6183036300000364 
        C 10.33165741017888 -5.680738742388289 0.7452557100000364 
        C 11.50833650017882 -5.009891412388289 1.026399850000041 
        H 9.404555730178803 -5.130563312388289 0.6202964600000365 
        H 13.62231062017884 -7.653332612388289 1.187915850000041 
        H 11.51504252017883 -8.855074422388293 0.6873809000000364 
        H 9.951713370178865 -14.11227014238832 0.2529184300000407 
        H 9.951494830178847 -11.63447328238832 0.2640112500000406 
        H 5.709980550178806 -14.11007254238832 -0.3295222799999596 
        H 5.709751430178803 -11.63229648238832 -0.3184354899999596 
        H 6.158071130178805 -5.121092292388289 -0.0884945199999613 
        H 4.076225650178804 -8.862303662388294 -0.1077697199999627 
        H 1.911429050178808 -7.65888453238829 -0.1229847899999628 
        C 10.33267428017884 5.857349147611712 0.7058889700000364 
        C 10.31969207017885 7.249992557611713 0.5787263000000364 
        C 11.51935040017882 7.950654777611709 0.7426911000000365 
        C 12.69623644017883 7.27993916761171 1.023164300000041 
        C 12.70931116017882 5.88725899761171 1.150086830000041 
        C 11.50943157017885 5.186685477611711 0.9873299900000364 
        O -0.37932634 -0.0 -3.15225896 region=qm
        O -3.15225896 0.0 0.37932633 region=qm
        C -0.24252991 -0.0 -2.01546005 region=qm
        O 0.37932634 0.0 3.15225896 region=qm
        C 0.24252991 0.0 2.01546005 region=qm
        Fe 0.0 0.0 0.0 region=qm
        O 3.15225896 -0.0 -0.37932633 region=qm
        C 2.01546006 -0.0 -0.24252991 region=qm
        C -2.01546006 0.0 0.24252991 region=qm
VEC1        29.93423999 0.0 0.0
VEC2        0.0 25.92379999 0.0