53
Coordinates of 1
 C                 -1.21803800   -2.36549900   -0.05696900
 C                 -0.72627400   -1.32705000   -0.84698100
 C                 -1.04309400   -1.38636200   -2.20443000
 C                 -1.77440800   -2.45517600   -2.72033800
 C                 -2.22598700   -3.48267000   -1.88898100
 C                 -1.95593900   -3.44411400   -0.52418000
 H                 -0.71432700   -0.58720400   -2.87350900
 H                 -2.00309900   -2.48927700   -3.78779900
 H                 -2.80101100   -4.31235800   -2.30434600
 H                 -2.31820300   -4.22855700    0.14304400
 B                 -0.02383400   -0.17146400    0.07354900
 C                  1.55840000    0.21782300   -0.08821100
 C                  2.49617100   -0.62208700   -0.74372500
 C                  2.07167800    1.41021500    0.48625700
 C                  3.83111700   -0.23259400   -0.88541600
 C                  3.41732000    1.75970900    0.32867100
 C                  4.31529600    0.96745500   -0.37591600
 H                  4.52172900   -0.90495100   -1.40287000
 H                  3.77465100    2.68735400    0.78587700
 C                 -1.08605200    1.05753500    0.01637200
 C                 -2.15513800    1.21429400    0.90242800
 C                 -1.02443300    1.96950900   -1.04958900
 C                 -3.09923900    2.23081300    0.75117600
 C                 -1.96332100    2.98136500   -1.20900000
 C                 -3.02275700    3.13521000   -0.30682000
 H                 -3.91559700    2.31948200    1.47383900
 H                 -1.87164500    3.67364500   -2.05146700
 C                  1.24863700    2.37580500    1.31385700
 H                  0.69816400    3.08858000    0.68303600
 H                  0.49125600    1.88474500    1.93551900
 H                  1.90618600    2.95719300    1.97620800
 C                  2.14995600   -1.98742400   -1.29381500
 H                  1.59035500   -2.59915500   -0.57341100
 H                  1.53333400   -1.93166500   -2.20076900
 H                  3.06717500   -2.53574400   -1.55022300
 C                  5.74718400    1.38571100   -0.57544600
 H                  6.41690800    0.51564600   -0.63980500
 H                  5.86577300    1.95739200   -1.51088300
 H                  6.09828400    2.02847700    0.24492500
 H                 -2.26716600    0.53145600    1.75036000
 H                 -0.20275700    1.89599900   -1.76867200
 C                 -4.03558100    4.23558700   -0.48379700
 H                 -4.78786100    4.22214500    0.31746300
 H                 -3.55696400    5.22768000   -0.47804000
 H                 -4.56731400    4.14101100   -1.44399800
 N                 -0.20104600   -0.99524600    1.47727100
 C                  0.11926100   -0.90369400    2.76350200
 C                 -0.98254700   -2.80495300    2.46693000
 C                 -0.36217800   -2.03253100    3.43939800
 H                  0.67790500   -0.04779100    3.13279700
 H                 -1.48478600   -3.76680000    2.52639400
 H                 -0.26542100   -2.26081200    4.49676400
 N                 -0.86275600   -2.14624300    1.30300900
53
Coordinates of 1a
 C                  2.91560400   -0.64169900   -0.02165600
 C                  2.38712300    0.57382200    0.44702100
 C                  3.27757500    1.42478300    1.12191900
 C                  4.61245700    1.10436200    1.31385500
 C                  5.11176100   -0.10074400    0.82502000
 C                  4.26169800   -0.97106000    0.16102000
 H                  2.89704400    2.38370900    1.47582600
 H                  5.27124100    1.80353800    1.83280300
 H                  6.16137700   -0.36731000    0.95977800
 H                  4.65974500   -1.91660900   -0.20360200
 B                 -0.03308700   -0.11256600   -0.41677500
 C                 -1.53129000   -0.41945000    0.04291800
 C                 -1.78953100   -0.85571300    1.36500600
 C                 -2.62546300   -0.34472100   -0.84462600
 C                 -3.09080000   -1.13937100    1.77795000
 C                 -3.91958100   -0.63989000   -0.39896400
 C                 -4.17886900   -1.02322400    0.91245400
 H                 -3.26144300   -1.47095500    2.80674800
 H                 -4.75066600   -0.57378800   -1.10777000
 C                  0.97563600    0.96925300    0.22312000
 C                  0.52095600    1.10841100   -1.26800900
 C                  0.42870400    2.00268400    1.12505100
 C                 -0.24546100    2.31962600   -1.60188900
 H                  1.29862700    0.86579900   -2.00336500
 C                 -0.42198100    2.96199500    0.72289600
 H                  0.73120600    1.96383700    2.17572600
 C                 -0.75661200    3.16532300   -0.68658000
 H                 -0.38810800    2.53519400   -2.66575500
 H                 -0.82766300    3.66463200    1.45609800
 C                 -5.58022700   -1.30078100    1.38788300
 H                 -5.61325800   -2.16950300    2.06244700
 H                 -5.98559300   -0.44184300    1.94774800
 H                 -6.26110100   -1.49494200    0.54682300
 C                 -2.46080900    0.03817200   -2.29594900
 H                 -3.29239700   -0.35170700   -2.90064600
 H                 -2.44572500    1.13167200   -2.41391800
 H                 -1.51858900   -0.33288700   -2.72112200
 C                 -0.66802500   -1.04885800    2.35605200
 H                  0.11757000   -1.71160800    1.96212300
 H                 -0.18146700   -0.09535700    2.60243200
 H                 -1.03869600   -1.49135600    3.29116300
 C                 -1.58867300    4.36171600   -1.05188800
 H                 -2.59366000    4.29818800   -0.60201400
 H                 -1.13507000    5.29649500   -0.68197000
 H                 -1.71265300    4.45130600   -2.14055400
 C                  0.20848000   -2.55767600   -1.23274700
 C                  2.39051200   -2.83273700   -1.11390600
 C                  1.22993700   -3.47716000   -1.48380800
 H                 -0.86588600   -2.62668700   -1.37835900
 H                  3.41801800   -3.17626100   -1.13538000
 H                  1.13469600   -4.48021800   -1.88845800
 N                  0.73040500   -1.43174800   -0.74878800
 N                  2.06518900   -1.59580400   -0.66346900
53
Coordinates of 1b
 C                  2.08370300   -1.66462800   -0.01406200
 C                  2.59648200   -0.37043700    0.13533400
 C                  3.58679000   -0.18357300    1.10106900
 C                  4.05939800   -1.24278000    1.86929000
 C                  3.53681200   -2.52260000    1.70175900
 C                  2.53537800   -2.73216400    0.76146100
 H                  3.98784300    0.82189000    1.23726400
 H                  4.84034100   -1.06611500    2.61215100
 H                  3.89377000   -3.35438200    2.31155900
 H                  2.08842000   -3.72040200    0.63888700
 B                 -0.47814600    0.03835300   -0.32935000
 C                 -2.01415600    0.14727900    0.04265700
 C                 -2.88178500    1.01291300   -0.65505200
 C                 -2.55022900   -0.63376000    1.09178600
 C                 -4.23346700    1.08241300   -0.30057300
 C                 -3.90033900   -0.53512100    1.42439200
 C                 -4.76305200    0.32114600    0.73805300
 H                 -4.89274600    1.75650300   -0.85522100
 H                 -4.29250700   -1.14169000    2.24652900
 C                  0.58695200    1.01707900   -0.17549500
 C                  2.00632800    0.75727500   -0.69593200
 C                  0.35284100    2.27915500    0.48029800
 C                  2.88318100    1.98437700   -0.73296300
 H                  1.94556100    0.35684600   -1.72692800
 C                  1.25651000    3.28737500    0.51947200
 H                 -0.62217600    2.41844600    0.95726400
 C                  2.54431300    3.15157100   -0.15702700
 H                  3.84111600    1.89450400   -1.25554000
 H                  1.02364900    4.22866700    1.02275100
 C                 -6.21366000    0.42678000    1.12796200
 H                 -6.79563400    0.97383200    0.37297400
 H                 -6.66984400   -0.56675600    1.25570300
 H                 -6.32901900    0.95960700    2.08585700
 C                 -1.66737800   -1.58079700    1.86722100
 H                 -2.17472200   -1.95803600    2.76606600
 H                 -1.38233500   -2.45664600    1.26086500
 H                 -0.73258900   -1.09071400    2.17785100
 C                 -2.38186900    1.88167400   -1.78407800
 H                 -1.73459700    2.68903700   -1.41001900
 H                 -1.77253500    1.31230800   -2.50187700
 H                 -3.21766200    2.34063900   -2.33099000
 C                  3.44147400    4.35624700   -0.20488700
 H                  2.93907000    5.19827000   -0.70856500
 H                  3.68789700    4.70112800    0.81277900
 H                  4.38127000    4.14879300   -0.73569400
 C                 -0.91793000   -1.97714100   -1.86790000
 C                  1.02159300   -3.01701800   -1.79352000
 C                 -0.23071800   -3.07891700   -2.37439600
 H                 -1.92670100   -1.61989600   -2.05821700
 H                  1.89348400   -3.65713300   -1.89608000
 H                 -0.59301700   -3.81401300   -3.08670400
 N                 -0.12669100   -1.28780400   -1.03620800
 N                  1.06688500   -1.93284400   -0.98881300
50
Coordinates of 2
 C                 -2.14520200   -1.44991400    0.01535500
 C                 -1.27545700   -0.75519400   -0.82429400
 C                 -1.57725100   -0.79157700   -2.18590500
 C                 -2.66639300   -1.52393100   -2.65575800
 C                 -3.49489100   -2.22188400   -1.77415300
 C                 -3.24479300   -2.18472900   -0.40554200
 H                 -0.95348700   -0.24084100   -2.89441300
 H                 -2.88004500   -1.54943400   -3.72654500
 H                 -4.34705400   -2.78856500   -2.15395400
 H                 -3.89422800   -2.70775900    0.29904100
 B                 -0.18230500    0.09994700    0.04175800
 N                 -0.68514400   -0.47146800    1.49094200
 C                  1.42665800   -0.17829800   -0.07912700
 C                  1.96566200   -1.36497700   -0.64189000
 C                  2.36039600    0.75565200    0.44026700
 C                  3.34732500   -1.54224200   -0.75203600
 C                  3.73714700    0.53667000    0.31651100
 C                  4.25892000   -0.59397800   -0.29885700
 H                  3.72366600   -2.46773600   -1.19776600
 H                  4.42525100    1.28117300    0.72815000
 C                 -0.66877000    1.64013100   -0.14905500
 C                 -1.60479400    2.27267700    0.67783400
 C                 -0.22864100    2.35949500   -1.27103400
 C                 -2.06724900    3.56207500    0.41609800
 C                 -0.68615500    3.64496200   -1.54606600
 C                 -1.60901800    4.25635100   -0.69900400
 H                 -2.79310700    4.02630500    1.08874000
 H                 -0.31627200    4.17744800   -2.42606800
 C                  1.97375300    2.02519800    1.17040200
 H                  1.77518700    2.85249300    0.47373800
 H                  1.06597800    1.92326700    1.77575200
 H                  2.79129700    2.34010100    1.83492300
 C                  1.11524900   -2.51988900   -1.12072500
 H                  0.35211300   -2.81006100   -0.38600200
 H                  0.57990600   -2.29013200   -2.05155700
 H                  1.74437000   -3.40098100   -1.30913600
 C                  5.74184700   -0.78948100   -0.46535200
 H                  6.02371500   -1.84807600   -0.36486200
 H                  6.07492900   -0.45876400   -1.46308500
 H                  6.31110200   -0.21165600    0.27698200
 H                 -1.98857800    1.75481200    1.56211300
 H                  0.50905600    1.90584600   -1.93983100
 H                 -1.96804100    5.26659800   -0.90847800
 N                 -1.74571600   -1.28006700    1.37005500
 C                 -0.36567400   -0.41371900    2.77947200
 H                  0.48236100    0.17960300    3.11101200
 C                 -1.25932700   -1.20642600    3.51145100
 C                 -2.12567400   -1.74618900    2.57055500
 H                 -1.26959400   -1.37136900    4.58484800
 H                 -2.96698700   -2.42594100    2.67577000
50
Coordinates of 2a
 C                 -2.80354500   -0.63964300   -0.07554100
 C                 -2.35617600    0.67182000   -0.31235700
 C                 -3.29719300    1.56826900   -0.84429200
 C                 -4.60522300    1.19928400   -1.11713900
 C                 -5.02426600   -0.10384300   -0.85855400
 C                 -4.12223100   -1.01980400   -0.34069300
 H                 -2.97953500    2.59745600   -1.01600500
 H                 -5.30621100    1.93405100   -1.51823000
 H                 -6.05190700   -0.41126700   -1.05949900
 H                 -4.45809300   -2.03880300   -0.15542500
 B                  0.09520900    0.00998200    0.47480900
 N                 -0.57827600   -1.39515200    0.56008300
 C                  1.61633400   -0.11526900    0.00483500
 C                  1.91664400   -0.30363600   -1.36601500
 C                  2.69411400   -0.11880900    0.91536500
 C                  3.23825700   -0.42569600   -1.79334500
 C                  4.00966400   -0.24709100    0.45348400
 C                  4.30733600   -0.38483600   -0.89793800
 H                  3.44120200   -0.56621200   -2.85944000
 H                  4.82752800   -0.24592900    1.18045700
 C                 -0.97600200    1.11445400    0.00485800
 C                 -0.55110900    1.02417900    1.51420000
 C                 -0.49403200    2.32129700   -0.69962300
 C                  0.12251400    2.20833800    2.06389400
 H                 -1.31602000    0.60328900    2.17892500
 C                  0.28644900    3.25375800   -0.12448200
 H                 -0.78854500    2.44069000   -1.74634000
 C                  0.57929000    3.21771800    1.30066300
 H                  0.23077100    2.25953500    3.15144400
 H                  0.65050100    4.09679000   -0.71637500
 C                  5.72891000   -0.48317800   -1.38400000
 H                  5.82923400   -1.22398800   -2.19145700
 H                  6.07685400    0.48235500   -1.78674900
 H                  6.41467200   -0.76663500   -0.57282000
 C                  2.48957100    0.00151000    2.40654500
 H                  3.34576000   -0.41805500    2.95430900
 H                  2.38682200    1.05541400    2.70402500
 H                  1.57793400   -0.50885300    2.74576300
 C                  0.82058800   -0.40212400   -2.39857500
 H                  0.08630700   -1.18145300   -2.14312100
 H                  0.26346700    0.54060600   -2.48404600
 H                  1.23091200   -0.64417400   -3.38882800
 H                  1.10136900    4.06287200    1.75466500
 C                 -0.94011200   -3.56691500    0.91438700
 H                 -0.77909800   -4.61643100    1.14134900
 C                 -2.13785100   -2.94903500    0.62661500
 H                 -3.13777400   -3.36073900    0.55673400
 C                  0.01570700   -2.54964700    0.85775900
 H                  1.08962800   -2.56941100    1.02096900
 N                 -1.89567400   -1.63307900    0.40782400
50
Coordinates of 2b
 C                  2.42512800   -1.12498900   -0.00481900
 C                  2.74517100    0.23306200    0.11009000
 C                  3.69882900    0.58629400    1.06624200
 C                  4.32164500   -0.37384400    1.85729000
 C                  3.99064300   -1.71975200    1.72326700
 C                  3.02852100   -2.09601800    0.79389800
 H                  3.94960400    1.64230800    1.17741900
 H                  5.06945600   -0.06732300    2.59191000
 H                  4.46583400   -2.47541400    2.35119000
 H                  2.72987700   -3.14145900    0.69789600
 B                 -0.35667000    0.18296100   -0.34523200
 C                 -1.88902500    0.06927300    0.03932000
 C                 -2.88240600    0.78403300   -0.66294200
 C                 -2.29399700   -0.76867400    1.10254500
 C                 -4.22613900    0.65312300   -0.29826200
 C                 -3.64200900   -0.87111300    1.44484300
 C                 -4.62819300   -0.16477300    0.75528300
 H                 -4.98338200    1.21037200   -0.85765700
 H                 -3.93257100   -1.51965600    2.27696300
 C                  0.55426800    1.31133400   -0.22217100
 C                  1.99612000    1.24088700   -0.74596900
 C                  0.13757200    2.53996100    0.40790700
 C                  2.68752000    2.58077400   -0.81762400
 H                  1.99052000    0.80935200   -1.76596800
 C                  0.88409900    3.67199700    0.41992600
 H                 -0.84714900    2.54327200    0.88501100
 C                  2.16888100    3.68588200   -0.25941500
 H                  3.64708900    2.62334400   -1.34148600
 H                  0.52068500    4.58176100    0.90094500
 C                 -6.07552900   -0.26405400    1.15860500
 H                 -6.74457700    0.02818800    0.33672800
 H                 -6.33951600   -1.28628600    1.46779200
 H                 -6.29469400    0.39894200    2.01184300
 C                 -1.27340800   -1.56105100    1.88233500
 H                 -1.71101500   -1.99499500    2.79218800
 H                 -0.86612900   -2.39446400    1.28600100
 H                 -0.41958400   -0.93216200    2.17562000
 C                 -2.52717300    1.69930600   -1.80979300
 H                 -2.00371200    2.59981400   -1.45529500
 H                 -1.84671200    1.21512400   -2.52627300
 H                 -3.42675100    2.02046500   -2.35375900
 C                 -0.50246200   -1.90965500   -1.83662600
 C                  1.56578500   -2.65984700   -1.74561600
 C                  0.33472100   -2.91380100   -2.31973100
 H                 -1.55220700   -1.70508400   -2.03069800
 H                  2.52021500   -3.17096300   -1.83679600
 H                  0.08055800   -3.70995300   -3.01293400
 N                  0.18268300   -1.09472500   -1.02461700
 N                  1.45617100   -1.56122800   -0.96714700
 H                  2.71415900    4.63155800   -0.33361900
76
Coordinates of 4
 C                 -2.95035500    2.47746600    0.89711100
 C                 -2.52293100    1.74473700   -0.20953300
 C                 -2.23497100    2.48010400   -1.35935300
 C                 -2.41374700    3.86256500   -1.38489200
 C                 -2.86530700    4.54765600   -0.25475700
 C                 -3.13503100    3.85267600    0.92063700
 H                 -1.86757700    1.96893000   -2.25279500
 H                 -2.19400100    4.42005600   -2.29797100
 H                 -2.99749200    5.63070900   -0.28600800
 H                 -3.47020400    4.37548800    1.81841200
 B                 -2.29640600    0.17254300    0.18193500
 C                 -3.14100200   -1.02858900   -0.53998500
 C                 -4.34583700   -0.80035300   -1.25545700
 C                 -2.71944300   -2.37863500   -0.42535500
 C                 -5.01259100   -1.85262900   -1.88819000
 C                 -3.42001100   -3.40491800   -1.06895700
 C                 -4.55711200   -3.16599600   -1.83026300
 H                 -5.93445300   -1.63574900   -2.43585000
 H                 -3.06243200   -4.43304900   -0.95890400
 C                 -0.67679300    0.01778300    0.18516100
 C                  0.13168200    0.26376600    1.30080100
 C                 -0.01459100   -0.25978900   -1.02055300
 C                  1.52244000    0.22909300    1.23055800
 C                  1.37185000   -0.31281000   -1.10734500
 C                  2.15344900   -0.06552500    0.02333500
 H                  2.12898800    0.43699200    2.11434200
 H                  1.86119900   -0.55597300   -2.05270300
 C                 -1.52740900   -2.82816600    0.39438800
 H                 -0.58872900   -2.75763100   -0.17422100
 H                 -1.37309300   -2.23441300    1.30268600
 H                 -1.65279000   -3.87843300    0.69452200
 C                 -5.01066800    0.55395900   -1.35542600
 H                 -5.08607100    1.05509300   -0.38103500
 H                 -4.46939900    1.24142300   -2.01911200
 H                 -6.03023100    0.44669100   -1.75103000
 C                 -5.26991600   -4.27572500   -2.55488000
 H                 -6.35787700   -4.11429500   -2.57045000
 H                 -4.93662700   -4.34063200   -3.60387400
 H                 -5.07497500   -5.25259400   -2.08943800
 H                 -0.32642700    0.49750100    2.26617600
 H                 -0.60405700   -0.47032500   -1.91754400
 N                 -2.84545500    0.33491500    1.71336000
 C                 -3.11639600   -0.40158800    2.78596000
 C                 -3.62298000    1.70517200    3.25713500
 C                 -3.60961400    0.42794400    3.80126800
 H                 -2.95426800   -1.47616800    2.77209900
 H                 -3.93684200    2.65909700    3.67253100
 H                 -3.92353600    0.13575500    4.79905700
 N                 -3.15690000    1.60532700    2.00202600
 C                  4.39608100   -0.98233900    0.64823500
 C                  4.36853200    0.70498600   -0.84728000
 C                  4.05410600   -1.99591100    1.54683400
 C                  5.74334200   -0.72353400    0.30794700
 C                  3.99548700    1.74112300   -1.70687200
 C                  5.72556300    0.36111100   -0.65301600
 C                  5.08442900   -2.73829700    2.10865500
 H                  3.01194400   -2.19811900    1.79628400
 C                  6.76151100   -1.48473000    0.88804000
 C                  5.00390400    2.41904900   -2.37901100
 H                  2.94720000    2.00912300   -1.84298600
 C                  6.72114800    1.05889500   -1.34192500
 C                  6.42756900   -2.48737600    1.78806300
 H                  4.84197900   -3.53633300    2.81407900
 H                  7.80655100   -1.29404100    0.63355800
 C                  6.35546400    2.08345500   -2.20404800
 H                  4.73739900    3.23267700   -3.05740400
 H                  7.77347000    0.80191500   -1.20121200
 H                  7.21326200   -3.08926800    2.24883700
 H                  7.12296900    2.63630400   -2.74921700
 N                  3.57079100   -0.11327100   -0.05576700
70
Coordinates of 4a
 C                  3.98194900   -1.76838600    0.00286200
 C                  2.77682300   -1.90722400   -0.70674100
 C                  2.68893000   -2.99698700   -1.58737100
 C                  3.72409200   -3.90389300   -1.75407500
 C                  4.90208700   -3.74910000   -1.02710100
 C                  5.02848600   -2.68186700   -0.15198700
 H                  1.75557600   -3.13906400   -2.13356400
 H                  3.60698800   -4.74393800   -2.44146700
 H                  5.72497000   -4.45709700   -1.13856900
 H                  5.95840300   -2.56551300    0.40216800
 B                  1.83743900    0.31973700    0.39759600
 C                  1.31054700    1.79705900    0.09953000
 C                  1.72876500    2.46879500   -1.07690200
 C                  0.48183400    2.50497800    0.99442700
 C                  1.27701700    3.75637300   -1.35748700
 C                  0.04652800    3.80029900    0.68195100
 C                  0.41718900    4.43948500   -0.49491900
 H                  1.61209200    4.24890900   -2.27531000
 H                 -0.59944800    4.32527200    1.39202200
 C                  1.63243800   -0.97811700   -0.52613500
 C                  1.00383900   -0.93566500    0.91208200
 C                  0.64851900   -0.92588600   -1.62675000
 C                 -0.45856600   -0.96052700    0.98398400
 H                  1.49645100   -1.57807000    1.65197800
 C                 -0.67273200   -0.77407900   -1.43625800
 H                  1.03122500   -1.00914600   -2.64764200
 C                 -1.24953400   -0.81148400   -0.09530800
 H                 -0.92224300   -1.11532100    1.96150700
 H                 -1.35466300   -0.69732800   -2.28505400
 C                 -0.07892900    5.81990000   -0.83372000
 H                  0.74173700    6.47078700   -1.17192600
 H                 -0.81886200    5.78565100   -1.64980800
 H                 -0.56030500    6.29926800    0.03024800
 C                  0.03000800    1.93145200    2.31677000
 H                 -0.07097900    2.72607900    3.07058000
 H                 -0.95515600    1.44985100    2.22013300
 H                  0.72187600    1.17242500    2.70247500
 C                  2.68912600    1.82322600   -2.04531600
 H                  3.60307400    1.47065300   -1.54347300
 H                  2.23969700    0.94851400   -2.53464000
 H                  2.99223300    2.52964400   -2.83036900
 C                  3.81252500    1.29261600    1.75709900
 C                  5.29051800   -0.33056900    1.58140800
 C                  5.09481300    0.90733100    2.15483400
 H                  3.23733300    2.18859800    1.97341300
 H                  6.14792600   -0.99195400    1.62322800
 H                  5.78795600    1.45820600    2.78332800
 N                  3.27576100    0.33902800    0.99764800
 N                  4.17793100   -0.65472600    0.87836600
 C                 -3.48776200   -1.89037700    0.26240200
 C                 -3.46986000    0.32030800   -0.16222400
 C                 -3.13810900   -3.22309800    0.49126300
 C                 -4.83974200   -1.47464900    0.23887900
 C                 -3.08937100    1.63872500   -0.42528400
 C                 -4.82787100   -0.05126200   -0.03571700
 C                 -4.16414600   -4.13460700    0.70210300
 H                 -2.09190400   -3.53142900    0.50352600
 C                 -5.85291400   -2.41215900    0.45705800
 C                 -4.09884300    2.58221700   -0.56446100
 H                 -2.03766800    1.91635000   -0.51231800
 C                 -5.82289900    0.91980800   -0.17848700
 C                 -5.51068400   -3.73769700    0.68834800
 H                 -3.91685400   -5.18323600    0.88314000
 H                 -6.90125900   -2.10514400    0.44382100
 C                 -5.45318600    2.23159300   -0.44388100
 H                 -3.82978200    3.62086800   -0.76990100
 H                 -6.87715100    0.64992200   -0.08257700
 H                 -6.29296500   -4.47972700    0.86021900
 H                 -6.22062700    2.99980800   -0.55855900
 N                 -2.66800500   -0.79597600    0.02629500
70
Coordinates of 4b
 C                  1.75733500   -2.92406900    0.08153700
 C                  0.48817500   -2.36735900   -0.11662900
 C                 -0.32861400   -2.96330500   -1.07859500
 C                  0.09333800   -4.07757900   -1.79733800
 C                  1.35894400   -4.61623500   -1.58239300
 C                  2.19983600   -4.02928800   -0.64455000
 H                 -1.31732600   -2.53703400   -1.25538200
 H                 -0.57186600   -4.52631800   -2.53809500
 H                  1.70021700   -5.48153500   -2.15317700
 H                  3.20785500   -4.41642500   -0.48529100
 B                  2.38827700    0.09835800    0.31181700
 C                  3.41665300    1.23999100   -0.06836300
 C                  3.41584500    2.48416900    0.59611000
 C                  4.36996300    1.02638500   -1.08959800
 C                  4.34238100    3.46815700    0.23541100
 C                  5.27457400    2.03116200   -1.42893400
 C                  5.27704400    3.26528200   -0.77678000
 H                  4.33096600    4.42562900    0.76422900
 H                  5.99843000    1.84826800   -2.22890500
 C                  0.94528600    0.04514900    0.12212000
 C                  0.10302500   -1.11883800    0.66168300
 C                  0.25328400    1.09220800   -0.57991400
 C                 -1.38192200   -0.86209900    0.64272600
 H                  0.39758300   -1.32612500    1.70904800
 C                 -1.09715000    1.18748300   -0.66571800
 H                  0.86754600    1.86706900   -1.04798500
 C                 -1.92067700    0.19629300    0.01221000
 H                 -2.03439400   -1.58084500    1.14420300
 H                 -1.58398300    2.01749600   -1.17744500
 C                  6.24658200    4.34573600   -1.17612800
 H                  6.30367700    5.13776000   -0.41630000
 H                  7.25946900    3.94288200   -1.32674900
 H                  5.94308700    4.81849400   -2.12445900
 C                  4.41802200   -0.28887400   -1.82827000
 H                  5.08170500   -0.23421500   -2.70225200
 H                  4.79170600   -1.10211300   -1.18423400
 H                  3.41776500   -0.59011700   -2.17388700
 C                  2.42662400    2.78719000    1.69580600
 H                  1.40913900    2.91192200    1.29584600
 H                  2.36663100    1.97180100    2.43219000
 H                  2.69659200    3.70995600    2.22833600
 C                  4.07125700   -0.98027100    1.93106500
 C                  3.41597700   -3.08200000    1.91112900
 C                  4.33669800   -2.22880200    2.48978200
 H                  4.53652500   -0.01243100    2.09966300
 H                  3.24007700   -4.14589000    2.04490500
 H                  5.08980000   -2.47467600    3.23231700
 N                  3.04790800   -1.07240000    1.07265400
 N                  2.64795000   -2.36947900    1.05950000
 C                 -4.13393100    0.49654000   -1.09919600
 C                 -4.13000900    0.55630600    1.15372000
 C                 -3.78499100    0.37873500   -2.44767900
 C                 -5.47275700    0.71345700   -0.70110700
 C                 -3.77429200    0.56148000    2.50498400
 C                 -5.46968600    0.75497400    0.74711000
 C                 -4.79747100    0.49753700   -3.39072400
 H                 -2.75096300    0.20465500   -2.74724900
 C                 -6.47275100    0.82765900   -1.67024400
 C                 -4.78096500    0.75900400    3.44043400
 H                 -2.73818200    0.41603400    2.81086800
 C                 -6.46489600    0.94829000    1.70898000
 C                 -6.13004400    0.72186700   -3.01135900
 H                 -4.54930400    0.41320900   -4.45122000
 H                 -7.51106000    0.99557700   -1.37522300
 C                 -6.11671600    0.94751100    3.05237800
 H                 -4.52548400    0.76780800    4.50256100
 H                 -7.50299600    1.10142300    1.40530900
 H                 -6.90138000    0.81038000   -3.77897800
 H                 -6.88408400    1.09717400    3.81445700
 N                 -3.32913800    0.40121300    0.02810400
56
Coordinates of 5
 C                 -1.06398600   -2.75210000    1.01216900
 C                 -1.01583600   -1.39498400    1.32934200
 C                 -0.85120000   -1.08225400    2.67838400
 C                 -0.78318700   -2.09053700    3.63923700
 C                 -0.85798300   -3.43575900    3.27236400
 C                 -0.99319400   -3.78808400    1.93239300
 H                 -0.77807000   -0.03715800    2.99043100
 H                 -0.66499800   -1.82718800    4.69244600
 H                 -0.79965700   -4.21578800    4.03362300
 H                 -1.03407800   -4.83555200    1.62798900
 B                 -0.99825000   -0.48114800   -0.02664700
 C                 -2.16614000    0.61714700   -0.34464200
 C                 -3.43777400    0.58444000    0.28747400
 C                 -1.96989200    1.62923500   -1.31932700
 C                 -4.39419200    1.56629500    0.02056600
 C                 -2.95734000    2.59151500   -1.56097300
 C                 -4.17020800    2.59924600   -0.88498600
 H                 -5.35936500    1.51110500    0.53241400
 H                 -2.76714500    3.35843400   -2.31763200
 C                  0.53585300    0.06125200   -0.08529300
 C                  1.59023600   -0.65148300   -0.66361500
 C                  0.86634300    1.25284200    0.57050400
 C                  2.90555600   -0.19261400   -0.60838000
 C                  2.17578400    1.72341300    0.61906100
 C                  3.21065100    1.00464900    0.02928700
 C                 -0.73025500    1.75541600   -2.18204000
 H                  0.04454400    2.37031200   -1.69987100
 H                 -0.25692500    0.79465900   -2.41539800
 H                 -0.98545700    2.24356700   -3.13352700
 C                 -3.86437100   -0.50654100    1.24346900
 H                 -3.64023000   -1.51085700    0.85937600
 H                 -3.36940500   -0.42737300    2.22056800
 H                 -4.94812100   -0.45463100    1.41684500
 C                 -5.20141400    3.66887700   -1.12275000
 H                 -6.22215500    3.26030100   -1.08751800
 H                 -5.13984600    4.45412000   -0.35138700
 H                 -5.06053500    4.15630500   -2.09802500
 H                  1.39546600   -1.58878400   -1.18990400
 H                  0.07557700    1.84590200    1.03724900
 H                  4.23505300    1.37382500    0.06357800
 C                  2.44605300    3.05724100    1.25537900
 C                  4.00610200   -1.02633900   -1.20125600
 F                  5.06943300   -0.28897300   -1.53729400
 F                  4.43496500   -1.96248600   -0.34362700
 F                  3.60004600   -1.67234900   -2.30272500
 F                  2.06213600    4.06394900    0.45669100
 F                  1.77703600    3.20187700    2.40528000
 F                  3.74392900    3.23848100    1.51886700
 N                 -1.17300900   -1.74143200   -1.04561700
 C                 -1.33381100   -1.99357900   -2.34093100
 C                 -1.34707000   -3.92954200   -1.25919100
 C                 -1.44397500   -3.37686300   -2.52934700
 H                 -1.36986600   -1.18020100   -3.06111000
 H                 -1.38951600   -4.96143500   -0.92073800
 H                 -1.58245300   -3.90675400   -3.46716100
 N                 -1.18527200   -2.91383900   -0.39654300
56
Coordinates of 5a
 C                  3.27041200    0.45969700   -0.47189000
 C                  2.34995200   -0.49480700   -0.93681100
 C                  2.84012000   -1.46757100   -1.82072900
 C                  4.16727000   -1.50329800   -2.22168700
 C                  5.06058200   -0.55185500   -1.73645300
 C                  4.61040300    0.42832700   -0.86521800
 H                  2.15049000   -2.23392300   -2.17777700
 H                  4.50960500   -2.28442800   -2.90303400
 H                  6.10993800   -0.56791600   -2.03530800
 H                  5.31600100    1.17594200   -0.50673800
 B                  0.36983400    0.74495700    0.35947800
 C                 -0.98630000    1.53723900    0.08031100
 C                 -1.13873700    2.22529200   -1.15069500
 C                 -2.02961100    1.64703700    1.02252700
 C                 -2.30629600    2.93290800   -1.42767400
 C                 -3.18899700    2.36877400    0.71102300
 C                 -3.35715400    3.00655700   -0.51191600
 H                 -2.39880500    3.45035400   -2.38718000
 H                 -3.98397900    2.43581800    1.45964100
 C                  0.92988400   -0.49750600   -0.50715700
 C                  0.63913700   -0.66708100    1.02743500
 C                 -0.02912500   -1.16552300   -1.39022000
 C                 -0.36752300   -1.68555300    1.36522800
 H                  1.54195600   -0.73852500    1.64437700
 C                 -1.08930100   -1.86381100   -0.93975500
 H                  0.11845200   -1.07326200   -2.46818700
 C                 -1.23298000   -2.19084300    0.47037000
 C                 -4.62398300    3.74693200   -0.84699300
 H                 -4.41254300    4.69353500   -1.36665800
 H                 -5.26502600    3.14801800   -1.51435100
 H                 -5.20953700    3.97459800    0.05492300
 C                 -1.95686900    1.01458600    2.38976900
 H                 -2.54902800    1.58854800    3.11722000
 H                 -2.36502000   -0.00714800    2.37454700
 H                 -0.93031300    0.93409000    2.76481600
 C                 -0.04135400    2.23575900   -2.18756100
 H                  0.90879300    2.61155800   -1.77786000
 H                  0.16168900    1.23016700   -2.58016600
 H                 -0.30924400    2.87772600   -3.03771500
 H                 -1.97528000   -2.93005000    0.77107300
 C                 -0.31272100   -2.23794700    2.75773200
 C                 -2.09795700   -2.43539700   -1.88509300
 F                  0.81194000   -2.94935500    2.94423000
 F                 -1.34209400   -3.03962500    3.04083300
 F                 -0.29701900   -1.27087800    3.69066100
 F                 -2.24582600   -3.75796000   -1.70154400
 F                 -3.30925200   -1.89283200   -1.70495300
 F                 -1.76714900   -2.24968600   -3.16832400
 N                  1.54176400    1.72519600    0.68827700
 C                  1.45543900    2.85833800    1.38091800
 C                  3.58149400    2.51828300    0.91956100
 C                  2.73169000    3.39830700    1.55495900
 H                  0.48171600    3.20434300    1.71727000
 H                  4.65904000    2.54670800    0.80601000
 H                  3.00097500    4.30837500    2.08231800
 N                  2.83976500    1.51375200    0.39420700
56
Coordinates of 6
 C                 -0.95140500    2.62953000    0.54042300
 C                 -0.69711600    1.32855700    0.97976700
 C                 -1.23101200    0.99459400    2.22619800
 C                 -1.93861800    1.93301300    2.97725100
 C                 -2.14894700    3.22664800    2.49767700
 C                 -1.65491000    3.59241700    1.24908200
 H                 -1.09713100   -0.01274100    2.62469500
 H                 -2.33861200    1.65040900    3.95342200
 H                 -2.70761100    3.95058600    3.09376400
 H                 -1.82287800    4.59414500    0.84903400
 B                  0.04178600    0.45419600   -0.19859900
 N                  0.19517900    1.71812800   -1.22216000
 C                  1.55324200   -0.15925200   -0.01827500
 C                  2.46263000    0.32911700    0.95592000
 C                  2.04516300   -1.15774700   -0.89892600
 C                  3.74412400   -0.21579500    1.07741900
 C                  3.33821300   -1.67062000   -0.74829800
 C                  4.20299300   -1.23295000    0.24730900
 H                  4.41296800    0.18399500    1.84531200
 H                  3.67978700   -2.44143500   -1.44535800
 C                  1.24686000   -1.73538400   -2.04769300
 H                  0.50061600   -2.46385500   -1.70014900
 H                  0.68904300   -0.97967400   -2.61371000
 H                  1.91530700   -2.25572400   -2.74806100
 C                  2.14142500    1.46870900    1.89624500
 H                  1.74754400    2.34798200    1.36843100
 H                  1.38960100    1.19479900    2.64819500
 H                  3.04705100    1.78504400    2.43218000
 C                  5.57305700   -1.83067300    0.42220600
 H                  6.30205400   -1.07834600    0.75777600
 H                  5.56162100   -2.63178100    1.17973300
 H                  5.94321400   -2.27254000   -0.51413600
 N                 -0.38559300    2.82630300   -0.74903300
 C                  0.74394400    2.01539700   -2.39496000
 H                  1.28721400    1.25957000   -2.95614000
 C                  0.49555900    3.36241100   -2.68915200
 C                 -0.22746400    3.84692800   -1.60733500
 H                  0.80901800    3.91509100   -3.56993300
 H                 -0.62195900    4.83649000   -1.39280600
 C                 -1.15125700   -0.52612800   -0.74211900
 C                 -1.48945000   -1.74338600   -0.04908000
 C                 -1.96031500   -0.16115400   -1.79914000
 C                 -0.73146600   -2.22722300    1.05568900
 C                 -2.61258000   -2.52179700   -0.46465200
 C                 -3.07014400   -0.93133700   -2.22080600
 H                 -1.75242100    0.75773900   -2.35321300
 C                 -1.06416800   -3.38859700    1.70799700
 H                  0.14837100   -1.67031900    1.37609200
 C                 -2.93409600   -3.71878700    0.22985500
 C                 -3.39360200   -2.08885700   -1.56869600
 H                 -3.66850600   -0.59120800   -3.06961500
 C                 -2.18277500   -4.14590300    1.29378200
 H                 -0.45703700   -3.73307500    2.54818300
 H                 -3.79893600   -4.29731000   -0.10502100
 H                 -4.25001500   -2.69140800   -1.88100000
 H                 -2.44166600   -5.06883100    1.81752900
56
Coordinates of 6a
 C                 -2.86236400   -1.02392500   -0.12122500
 C                 -2.38942300    0.29035400    0.03418700
 C                 -3.35172300    1.31119300   -0.05586700
 C                 -4.69345900    1.05394500   -0.28402800
 C                 -5.13357500   -0.26093000   -0.42541900
 C                 -4.21759200   -1.29535300   -0.33879000
 H                 -3.01808800    2.34014900    0.07757700
 H                 -5.40402700    1.88133600   -0.33449600
 H                 -6.18851900   -0.48359100   -0.59392500
 H                 -4.57176800   -2.32017700   -0.43706600
 B                  0.06081100   -0.63911500    0.53565000
 N                 -0.64450400   -1.98710900    0.18192600
 C                  1.60064600   -0.68655500    0.10315700
 C                  1.95315600   -0.57421900   -1.26574900
 C                  2.64458400   -0.92420300    1.02288700
 C                  3.28880400   -0.60661200   -1.66194400
 C                  3.97648000   -0.95461200    0.59007700
 C                  4.32518900   -0.77583100   -0.74312200
 H                  3.52929800   -0.50610400   -2.72458400
 H                  4.76590100   -1.13462500    1.32628000
 C                 -0.97240400    0.59455700    0.38083800
 C                 -0.58290800    0.08500000    1.79742400
 C                  0.13214300    1.03356300    2.66002500
 H                 -1.38427700   -0.45658300    2.31453800
 C                  0.61901000    2.20315700    2.22317100
 H                  0.25912300    0.75632000    3.71039000
 C                  5.76352700   -0.76691700   -1.18695400
 H                  5.89752600   -1.31133400   -2.13380100
 H                  6.11834500    0.26338400   -1.35410300
 H                  6.42167400   -1.22316100   -0.43379300
 C                  2.40044400   -1.18174300    2.49091600
 H                  3.16942100   -1.85496100    2.89763100
 H                  2.44335100   -0.24680800    3.06896900
 H                  1.41541900   -1.62731800    2.67746100
 C                  0.89667100   -0.46643100   -2.33666600
 H                  0.24751400   -1.35652700   -2.35378400
 H                  0.24859700    0.40264700   -2.17763500
 H                  1.35115300   -0.37338300   -3.33268400
 H                  1.16777800    2.86289200    2.89957000
 C                 -1.03242200   -4.13320800   -0.28210100
 H                 -0.88560100   -5.19547700   -0.45216400
 C                 -2.21540500   -3.43017400   -0.36084000
 H                 -3.21330900   -3.76846100   -0.61357300
 C                 -0.06857800   -3.18215800    0.05935400
 H                  1.00144000   -3.27683700    0.22151600
 N                 -1.95754200   -2.13064000   -0.07612000
 C                 -0.44465700    1.93968600   -0.01429400
 C                  0.38061800    2.67990900    0.86193800
 C                 -0.73006300    2.48940800   -1.27018000
 C                  0.90842100    3.90712000    0.44117500
 C                 -0.20076900    3.71083300   -1.67608300
 H                 -1.38205600    1.94319500   -1.95530100
 C                  0.63110800    4.42395100   -0.81731900
 H                  1.54609500    4.46514800    1.13173300
 H                 -0.43470800    4.10018400   -2.66945600
 H                  1.05723800    5.38109200   -1.12559600
59
Coordinates of 7
 C                 -0.67692600   -2.64307800   -0.18796500
 C                 -0.55934300   -1.45895100   -0.91590700
 C                 -1.07456200   -1.49463300   -2.21418100
 C                 -1.61279000   -2.66700500   -2.74153700
 C                 -1.67887200   -3.83390400   -1.97742500
 C                 -1.21498400   -3.83041500   -0.66619000
 H                 -1.05908500   -0.59384400   -2.83085300
 H                 -1.99644200   -2.67218700   -3.76406700
 H                 -2.10797500   -4.74457800   -2.39942500
 H                 -1.28349800   -4.72385500   -0.04271200
 B                  0.00289900   -0.23504200    0.02250000
 N                  0.17380200   -1.18666300    1.36773200
 C                  1.52064700    0.38551700   -0.12492700
 C                  2.53474700   -0.18723600   -0.93364200
 C                  1.89450500    1.49964600    0.66750300
 C                  3.81836000    0.36321100   -0.96859300
 C                  3.19538400    2.01485400    0.61207200
 C                  4.17559900    1.47382400   -0.20968200
 H                  4.57167400   -0.10433800   -1.60965400
 H                  3.44567500    2.87571900    1.23944000
 C                 -1.22440100    0.85891500    0.06041700
 C                 -2.34154500    0.80453900    0.92951800
 C                 -1.24072100    1.87092600   -0.93232900
 C                 -3.36006300    1.75863000    0.84550700
 C                 -2.28479800    2.79965100   -0.99011500
 C                 -3.35051900    2.78019500   -0.09811500
 H                 -4.20321600    1.68702100    1.53905200
 H                 -2.26144500    3.56557600   -1.77123200
 C                  0.94824800    2.23353000    1.59623100
 H                  0.34132400    2.97131100    1.04999500
 H                  0.22723200    1.58375600    2.10464200
 H                  1.51697100    2.77829900    2.36390500
 C                  2.31473800   -1.40871800   -1.79581100
 H                  1.94689400   -2.26876900   -1.21947200
 H                  1.57733600   -1.23126500   -2.59044800
 H                  3.25517300   -1.71071700   -2.27729200
 C                  5.56031400    2.05923100   -0.28504500
 H                  6.33128100    1.27396300   -0.27256000
 H                  5.69958900    2.63272600   -1.21610700
 H                  5.75581600    2.74168100    0.55433700
 N                 -0.18299600   -2.45434100    1.13019000
 C                  0.70392700   -1.14347000    2.58610200
 H                  1.09194400   -0.21205500    2.98760000
 C                  0.65651400   -2.42014600    3.15848300
 C                  0.08407300   -3.23339100    2.19049800
 H                  1.00288800   -2.71509100    4.14462000
 H                 -0.12822100   -4.29907000    2.18033100
 C                 -0.15703700    2.03588800   -1.97720900
 H                 -0.54354900    2.60221400   -2.83669000
 H                  0.71045200    2.58477600   -1.58110600
 H                  0.23484000    1.08302200   -2.35089200
 C                 -2.53478900   -0.27322100    1.97388400
 H                 -2.46634000   -1.28343400    1.54593100
 H                 -1.80180200   -0.21079700    2.79095900
 H                 -3.53075500   -0.18503100    2.42884400
 C                 -4.44283700    3.81469000   -0.14955000
 H                 -5.41016600    3.39634500    0.16548900
 H                 -4.22157800    4.66210300    0.52058200
 H                 -4.56237300    4.22427800   -1.16312600
59
Coordinates of 7a
 C                  2.83030300   -0.88676800    0.10720800
 C                  2.39709000    0.43347900    0.29898700
 C                  3.39899400    1.38572200    0.54833500
 C                  4.74059600    1.05173700    0.64556900
 C                  5.13597400   -0.27295800    0.47169400
 C                  4.18154400   -1.23665200    0.18941400
 H                  3.09553900    2.42893900    0.64157100
 H                  5.48397700    1.82822200    0.83650400
 H                  6.18836100   -0.55520800    0.53358000
 H                  4.50399100   -2.26261600    0.01852000
 B                 -0.09913000   -0.24128900   -0.35887100
 N                  0.58546800   -1.65078100   -0.45113800
 C                 -1.64462700   -0.42555800    0.03490300
 C                 -2.06867000   -0.61438000    1.36811300
 C                 -2.63545500   -0.50514900   -0.97413500
 C                 -3.42198300   -0.79121000    1.67083800
 C                 -3.97924600   -0.68817600   -0.63906600
 C                 -4.40132700   -0.81220600    0.68299300
 H                 -3.71629500   -0.93073400    2.71590400
 H                 -4.72118500   -0.74689400   -1.44139700
 C                  0.97323200    0.85281300    0.15997600
 C                  0.46715000    0.88182400   -1.33632100
 C                  0.52117300    1.95261600    1.05918200
 C                 -0.37707000    2.05690400   -1.64828800
 C                 -0.38428100    2.85676700    0.63756700
 C                 -0.82915800    2.94885700   -0.74909100
 H                 -0.62007800    2.20855100   -2.70539400
 H                 -0.76135000    3.60243500    1.34424600
 C                 -5.85915100   -0.96392900    1.02676700
 H                 -5.99769300   -1.52560300    1.96209500
 H                 -6.33749700    0.02011300    1.16368400
 H                 -6.41045700   -1.48413900    0.22976100
 C                 -2.29687800   -0.42549100   -2.44412100
 H                 -3.09215400   -0.87955600   -3.05253800
 H                 -2.18711700    0.61947900   -2.76678700
 H                 -1.35027500   -0.92783600   -2.68625900
 C                 -1.09876300   -0.65277400    2.52287700
 H                 -0.08396800   -0.92298100    2.20666300
 H                 -1.03422200    0.32871100    3.01500700
 H                 -1.42641100   -1.37656000    3.28376800
 C                  0.89896900   -3.85935900   -0.56595300
 H                  0.71428500   -4.92233400   -0.68760200
 C                  2.09659700   -3.24742400   -0.26796200
 H                  3.07618700   -3.67483800   -0.08822300
 C                 -0.02440700   -2.81641200   -0.66775200
 H                 -1.09178300   -2.83126300   -0.86740800
 N                  1.88518500   -1.91053600   -0.20276400
 C                  1.04826500    2.01393900    2.47362100
 H                  1.99950100    2.56262100    2.54752600
 H                  0.32978900    2.52992900    3.12656300
 H                  1.23272400    1.01327800    2.88895700
 C                 -1.72935800    4.09288700   -1.12191700
 H                 -2.69359900    4.02523100   -0.59094700
 H                 -1.28300800    5.06271700   -0.84530100
 H                 -1.93980200    4.10897900   -2.20073500
 C                  1.43894900    0.56684500   -2.46193800
 H                  2.19945100    1.35531500   -2.59191800
 H                  1.97317900   -0.38470000   -2.33861000
 H                  0.88022300    0.49074200   -3.40856000

