80 PCP-CzBN C -0.72544000 -0.99837400 -0.47258900 C 0.53501600 -1.59231200 -0.42238700 C 1.68129100 -0.80109700 -0.35413700 C 1.59609000 0.61721500 -0.25815000 C 0.30272400 1.18675700 -0.40762100 C -0.83592600 0.38947400 -0.49616600 N 0.18881200 2.57627500 -0.38876100 C 1.21360000 3.38836000 0.07198400 C 2.50638600 2.96698100 0.40221300 C 3.34334400 3.99003300 0.88627500 C 2.91916700 5.31170300 1.00647100 C 1.62716300 5.69123900 0.63791800 C 0.75947700 4.71870000 0.15962500 H 3.60693100 6.06044300 1.38728000 N 2.94860500 -1.38345800 -0.32312000 C 4.07572300 -0.67121800 0.06088800 C 3.34142000 -2.70700900 -0.60688100 C 2.64692300 -3.77395100 -1.17744200 C 3.32407400 -4.97526400 -1.36501600 C 4.66785300 -5.12521400 -1.01446900 C 5.37606600 -4.04854000 -0.49861900 C 4.71972700 -2.83574800 -0.30727000 C 5.18638500 -1.53569400 0.11373600 C 6.41989200 -1.02246100 0.49059200 C 6.51733700 0.33898500 0.78315800 C 5.40450300 1.17239100 0.69998200 C 4.12863400 0.69946700 0.33938700 H 5.16341200 -6.07824800 -1.16977200 H 7.47809200 0.75682900 1.06777300 B 2.80686700 1.47226300 0.16062100 H 4.35725000 3.75160400 1.18587600 H 1.30908800 6.72606900 0.72684200 H 2.78877500 -5.80997400 -1.80711400 H 6.43192400 -4.14023100 -0.26148800 H 7.29500300 -1.66355800 0.54680600 H 5.54173300 2.22737500 0.90653900 H 1.62479700 -3.68669600 -1.51718500 H 0.59403400 -2.66896000 -0.38427200 H -1.82115200 0.82525900 -0.46877900 C -0.91959300 3.39097300 -0.68518100 C -2.13341500 3.10241600 -1.30991700 C -3.04367000 4.13984000 -1.49056100 C -2.75974800 5.44512600 -1.08157300 C -1.52950500 5.74487100 -0.51185900 C -0.60239100 4.72321900 -0.32355100 H -3.49427400 6.22965200 -1.23263000 H -3.99138800 3.92349500 -1.97442300 H -1.28344800 6.76370100 -0.22752500 H -2.36611100 2.11932700 -1.69512100 C -3.35395900 -0.20469700 1.78413400 C -3.56436500 -1.44889700 2.38402500 C -4.83022700 -2.02192400 2.23453400 C -5.72645900 -1.53730200 1.28855100 C -5.37093000 -0.46914500 0.46263800 C -4.24602500 0.27475600 0.83169100 H -5.06049500 -2.94689200 2.75835000 H -6.63948500 -2.09301200 1.08667900 C -5.95627200 -0.32271400 -0.91731400 H -5.68165100 0.65826300 -1.31911800 H -7.05089600 -0.36413800 -0.90250700 C -2.41609900 -2.26600700 2.91457900 C -5.43809100 -1.44326000 -1.91635900 H -5.28084900 -0.97901800 -2.89611000 H -6.22853700 -2.18978900 -2.04363000 C -1.51450500 -2.90038100 1.76837200 H -0.57098500 -2.35354900 1.73451300 H -1.27431500 -3.92868100 2.05901600 C -4.19099300 -2.13134300 -1.42479800 C -4.27137900 -3.33877900 -0.72843300 C -3.27814000 -3.69819100 0.17429300 H -5.18416200 -3.92738000 -0.77880500 C -1.94805500 -1.82934900 -0.51184300 C -2.18012200 -2.87033400 0.41270000 H -3.44272600 -4.55323100 0.82612500 H -2.81108000 -3.07600500 3.53613600 H -1.76279600 -1.66431700 3.55531200 C -2.96025300 -1.47792100 -1.41013300 H -2.81373700 -0.59868300 -2.03385600 H -2.41573300 0.32016000 1.94683500 H -3.99687300 1.17689600 0.27545500 80 pm-PCP-CzBN-Br C 0.46725700 0.40322000 0.92972200 C 1.41496300 -0.61318400 0.81968600 C 1.01527100 -1.92055300 0.54607900 C -0.35015500 -2.23884000 0.29612200 C -1.29395800 -1.19968600 0.51618600 C -0.88746300 0.09765500 0.81791400 N -2.64708200 -1.49107900 0.34470800 C -3.07016300 -2.63292700 -0.31877200 C -2.25261700 -3.69163600 -0.72934700 C -2.92967900 -4.71133300 -1.42434100 C -4.30176800 -4.67215000 -1.66331200 C -5.08271800 -3.60717100 -1.21071800 C -4.46189300 -2.57156900 -0.52525800 H -4.77250000 -5.48591200 -2.20626200 N 1.95386500 -2.94812000 0.45275500 C 1.64759600 -4.17339800 -0.12212700 C 3.30867200 -2.97220400 0.84176200 C 4.06920900 -2.07791000 1.59547800 C 5.40133500 -2.39418300 1.84534800 C 5.97664000 -3.57826600 1.37862700 C 5.20673300 -4.49582400 0.67702700 C 3.87049700 -4.20191300 0.41967800 C 2.80857800 -4.96778000 -0.18942600 C 2.72263600 -6.23730700 -0.74424500 C 1.48102200 -6.68799800 -1.19602200 C 0.34677800 -5.88600700 -1.09638400 C 0.38333700 -4.58530600 -0.55924200 H 7.02031600 -3.79054300 1.58743300 H 1.39626800 -7.68364300 -1.62042300 B -0.76300300 -3.57869700 -0.34134400 H -2.37127800 -5.56100400 -1.79970500 H -6.15299900 -3.58971900 -1.39543000 H 5.99906800 -1.70128600 2.42954000 H 5.63107400 -5.43885600 0.34526800 H 3.60050100 -6.87303200 -0.81613000 H -0.59854800 -6.29623500 -1.43199800 H 3.65203200 -1.17934000 2.02715300 H 2.45836700 -0.35484900 0.90625500 H -1.60022400 0.90459500 0.85468200 C -3.77976100 -0.71287100 0.64796300 C -3.92612800 0.43767100 1.42391000 C -5.20053500 0.97985800 1.56368900 C -6.31814800 0.39171800 0.96648200 C -6.18264100 -0.78483800 0.24177500 C -4.91759500 -1.34658400 0.09086800 H -7.29707100 0.84326900 1.09146700 H -5.32331900 1.87470800 2.16639800 H -7.05079100 -1.27193000 -0.19230100 H -3.09775000 0.88721300 1.95364600 C -1.08979000 2.80987500 -1.08948200 C 0.16159300 3.16645200 -1.60373600 C 0.51268600 4.50766600 -1.44746800 C -0.15386100 5.34496000 -0.56356300 C -1.22810300 4.85860700 0.18317800 C -1.77643800 3.63320900 -0.20444800 Br 2.10427700 5.15161500 -2.25022500 H 0.25966200 6.32643400 -0.35447700 C -1.54524800 5.49103700 1.51123000 H -2.60923400 5.39025700 1.74797200 H -1.32948100 6.56295200 1.46638900 C 1.15342600 2.10965000 -2.00998700 C -0.70491300 4.85819200 2.70738800 H -1.39068300 4.29795100 3.35079300 H -0.30238100 5.67803400 3.31095100 C 2.31767500 1.93237400 -0.95559400 H 2.62087200 0.88323200 -0.98363800 H 3.17510200 2.52511400 -1.28457100 C 0.39585400 3.94390900 2.23851900 C 1.60307000 4.43302300 1.73897500 C 2.34801300 3.67135700 0.84409500 H 1.89136300 5.46394900 1.92988900 C 0.88734900 1.79992100 1.16954600 C 1.92013300 2.40843400 0.42547600 H 3.18221800 4.13911300 0.32884600 H 1.61121600 2.33434900 -2.97893600 H 0.62037700 1.15948400 -2.10744800 C 0.14133800 2.58546200 2.05196900 H -0.72635400 2.13978300 2.53321300 H -1.45519600 1.80377200 -1.27407400 H -2.67131700 3.25663300 0.28651700 80 po-PCP-CzBN-Br C -0.27235600 -1.05733200 -0.56498900 C 1.02644900 -1.56778400 -0.54638400 C 2.12066100 -0.71587900 -0.41557400 C 1.94498200 0.68772900 -0.26429600 C 0.62304100 1.18134000 -0.43010900 C -0.47194600 0.32339300 -0.53954200 N 0.43925400 2.56240700 -0.40003300 C 1.39134600 3.41826900 0.12909700 C 2.68644300 3.05963400 0.51850600 C 3.43826400 4.11355600 1.07177500 C 2.93568500 5.40713300 1.19364900 C 1.65009700 5.72787500 0.75155400 C 0.86393400 4.72300100 0.20448200 H 3.55813000 6.18258300 1.62947500 N 3.42089800 -1.22091100 -0.37325000 C 4.48936000 -0.45813700 0.07694400 C 3.90264200 -2.50584300 -0.69258200 C 3.29268300 -3.59058700 -1.32343100 C 4.04738300 -4.74138300 -1.53111100 C 5.38657900 -4.82325300 -1.14271400 C 6.01153600 -3.72593000 -0.56623200 C 5.27671800 -2.56290100 -0.35274000 C 5.64924100 -1.25490300 0.13251100 C 6.83638700 -0.68368900 0.57072800 C 6.83998400 0.66750300 0.92085800 C 5.67996500 1.43405700 0.83594200 C 4.44783200 0.89941300 0.41547300 H 5.94421000 -5.73814300 -1.31589700 H 7.76390900 1.13079900 1.25308900 B 3.08604400 1.59753000 0.22927600 H 4.44560100 3.92223700 1.42355500 H 1.27527700 6.74390800 0.83620400 H 3.57797500 -5.58941200 -2.02024900 H 7.06337000 -3.76282900 -0.29833500 H 7.74751400 -1.27216900 0.63038600 H 5.74366200 2.48609300 1.08875400 H 2.27890600 -3.55216300 -1.69586800 H 1.15539000 -2.63730000 -0.58307500 H -1.48047000 0.71130000 -0.49885100 C -0.68047600 3.32721600 -0.77319900 C -1.81412300 2.98204300 -1.50436300 C -2.76006500 3.97186600 -1.75234500 C -2.58050000 5.28454600 -1.30741600 C -1.42057800 5.64235700 -0.63260100 C -0.45940500 4.66772300 -0.37561300 H -3.34045800 6.03163100 -1.51312800 H -3.65125400 3.71277300 -2.31644500 H -1.25400000 6.66964300 -0.32229100 H -1.96082400 1.98655300 -1.89983000 C -2.90930400 -0.69158500 1.78779200 C -2.66003200 -1.93349300 2.37309300 C -3.72520800 -2.83448400 2.44610400 C -4.87391400 -2.61961100 1.69428100 C -5.00598800 -1.50808200 0.85447600 C -4.06766000 -0.49517900 1.04834700 H -3.59652900 -3.78302700 2.96117600 H -5.62237200 -3.40592600 1.63392700 C -5.87903600 -1.56789200 -0.36996500 H -6.46162400 -0.64932600 -0.49377300 H -6.58881600 -2.39166000 -0.24841000 C -1.23317100 -2.36076300 2.59624200 C -5.04076400 -1.79980900 -1.69212100 H -4.88716300 -0.83307200 -2.17943900 H -5.64465600 -2.41436100 -2.36852700 C -0.72048700 -3.33441600 1.46306000 H 0.35836400 -3.18886300 1.37474300 H -0.87246500 -4.36503600 1.79936300 C -3.69865600 -2.42525200 -1.40815500 C -3.59436900 -3.71853300 -0.89742500 C -2.49821600 -4.06703900 -0.11806000 H -4.43780900 -4.40114200 -0.96889500 C -1.41982600 -1.98865100 -0.62596600 C -1.47002800 -3.16278600 0.15817100 H -2.51659400 -5.01339700 0.41729700 H -1.09751400 -2.86591900 3.55883400 H -0.59449400 -1.47220900 2.60496900 C -2.54389800 -1.64132200 -1.38326500 H -2.55345900 -0.67629200 -1.88275300 H -2.13452800 0.06818400 1.77401600 Br -4.20330900 1.11130300 0.04826500