158
Cartesian coordinate for calculated structure 6
Co  9.55525873059025     13.62892584726316     11.27007354699582
N   9.64397357197117     14.29411220819235      9.72202073000380
N   9.66055330664622     14.92721958428502      8.64181344825202
N   7.18168495882272     12.04863253738259     12.19144679521273
N   11.97087565919145     14.20294161682108     12.87659897464955
C   8.37917748756859     12.17526212509206     11.62035732965982
C   10.71078532268299     14.46229102843879     12.48873053127029
C   8.66181443187637     10.85984719752360     10.87182140641444
C   7.62437292316146      9.87840355892346     11.43447898270435
H   7.26285412175035      9.14599760778901     10.68556390704072
H   8.07288029222565      9.29164939512059     12.26551165656290
C   6.46496866400642     10.71814726149842     11.95942544323309
C   5.32927883351734     10.88129328276622     10.95305576252640
H   4.65433452959269     11.69156294497418     11.28586775272612
H   4.72120295423318      9.95517380879822     10.89254618813972
H   5.67062263659976     11.11310660271985      9.92577562021825
C   5.87350261603753     10.14713934358974     13.23498572170688
H   6.65299744132156     10.01468075566310     14.00398172654041
H   5.42217420339581      9.15627280404039     13.02926201448598
H   5.08109336269793     10.79844926535316     13.65479527537433
C   8.45899174471496     11.09705430361960      9.36279172793066
H   7.41696515206210     11.37397264321256      9.12133215992278
H   8.71238081593591     10.16995446981707      8.80555170050561
H   9.10991489467914     11.91317462183857      8.99668590896545
C   10.09214784450753     10.38509748815027     11.08906193663463
H   10.79627539061065     11.16077596590259     10.72884659614970
H   10.29146724446413      9.44362987435180     10.53395724964378
H   10.30359010333511     10.21191406285230     12.15966164489839
C   6.50005680809155     13.16171346815955     12.83561004506852
C   5.84235189289789     14.11801405375407     12.03769986142563
C   5.14938369120264     15.13011428750165     12.68565471442536
H   4.62965610092789     15.88682017133244     12.07956637445666
C   5.12584770585817     15.21864658444008     14.05971053932780
H   4.57531233864393     16.03723228170897     14.55029389466828
C   5.80870659173003     14.30363302445211     14.82212920023414
H   5.82360805668019     14.41229481756382     15.91611787428740
C   6.51857649357574     13.25971332415095     14.23495318737184
C   7.31890661924013     12.36482019272724     15.16789940842995
H   7.78839392381031     11.57788388061309     14.54482300137903
C   8.43678785854740     13.16095178222673     15.84665785875067
H   8.02579794775690     13.96527204086970     16.49262760660476
H   9.09887494495334     13.62289636398969     15.09021177450328
H   9.04685674253277     12.50543313166691     16.49571049254776
C   6.43439482466923     11.69999282837956     16.23202725956718
H   5.89396442561766     12.44480525051983     16.85016300475407
H   7.05268809765800     11.08066962128872     16.91410295404690
H   5.66856929696821     11.03424494275473     15.78704895913498
C   5.90091050374247     14.17930979853033     10.51897430706964
H   6.54042236314259     13.34613791820199     10.17247506283915
C   4.51672198885233     14.09173820680717      9.86982255233745
H   3.96737235102152     13.16889440579411     10.13557745073362
H   4.62280597366951     14.12700908590729      8.76730579061975
H   3.88778351184617     14.95304524167519     10.17286866390940
C   6.58703513744094     15.47977193692087     10.08203809402962
H   5.94639937386756     16.36735397267628     10.26833432827734
H   6.79859006620087     15.43454553880911      8.99719193810713
H   7.55747411130952     15.62840219775144     10.59260063314231
C   10.40067934567081     15.90647486169711     12.93853343969464
C   11.51409169081133     16.21646540945854     13.94690031563638
H   11.78903226357563     17.29102198592130     13.94469002119227
H   11.17095310034128     15.97753130422760     14.97659376062505
C   12.70134176710316     15.32564770312347     13.59498425576238
C   13.44014562038038     14.85365500097357     14.83675196750365
H   12.72892942404292     14.41413991822936     15.56246367348348
H   13.91361387151768     15.72630535483715     15.32898347059752
H   14.23345346922668     14.11183366710953     14.62217538524112
C   13.72177636036737     15.99472047503163     12.67714149166445
H   14.43676139179864     15.24892121000400     12.28266824472605
H   14.30842218326726     16.74664541291758     13.24405845490758
H   13.27196347907582     16.51751965131815     11.80999624560977
C   9.01900133727320     16.04353987462184     13.56224386304469
H   8.23061729239105     15.68630956040409     12.86679089720804
H   8.81192999891519     17.10740907744457     13.80428823713954
H   8.92501429414504     15.45358432741438     14.49166896029601
C   10.45301365485689     16.84115566382279     11.71430985234675
H   11.41533014125069     16.76081659590584     11.17404390125132
H   10.32562043766093     17.89203156809844     12.04952778796024
H   9.64338908777457     16.59911612459513     11.00259245586298
C   12.63475111479284     12.94463029519417     12.58788328663422
C   13.28540762982336     12.74992649823099     11.35439637348433
C   13.95699228265071     11.54268051954795     11.15624362068330
H   14.49353556823167     11.37946056399789     10.20814657752819
C   13.96376562780160     10.55065437237685     12.10437279611606
H   14.51344186689438      9.61250661858964     11.92744377012259
C   13.29552051667546     10.74922877766725     13.29302310690910
H   13.30019642449505      9.95246944766941     14.05088365241129
C   12.61705944025253     11.92976741743509     13.56215917869501
C   11.83016617737177     12.00028795867663     14.86309437041560
H   11.35966779112948     12.99922568461969     14.93805725104998
C   10.71414921607434     10.95682405131036     14.83138653729675
H   11.11116930587508      9.92878457007288     14.70779922686345
H   10.02152955692203     11.16192671594199     13.99082494870392
H   10.12557798833984     10.97818661106582     15.76899827951544
C   12.70921226424545     11.76729549312743     16.09665396151608
H   12.10795375317841     11.80955063464677     17.02815307416123
H   13.51380056756565     12.52089666053169     16.16647676269933
H   13.19410238434336     10.77270585855775     16.05053033565184
C   13.27614921133994     13.73059135277658     10.20097729770615
H   12.66452732944746     14.61308836120447     10.48701799659232
C   14.68684398140015     14.20598066046797      9.83936263681356
H   15.24981528007706     14.59439912422156     10.70994700348209
H   14.64153947959064     15.01437922026006      9.07930788224210
H   15.28864988129568     13.38022212791890      9.40724422322626
C   12.62482649898513     13.10162409496964      8.96635413061654
H   13.17189631849494     12.19567970768567      8.64064052023975
H   12.64301954965027     13.83010442418495      8.12730941626534
H   11.56827175901088     12.83748037111098      9.15923273422931
C   10.53371764557948     15.84501517157477      8.28838463988229
H   11.33802818909233     16.13674962432869      8.98991030480183
C   10.45825841979317     16.56719544333578      7.03632806463572
C   9.54159759625866     16.27890287578170      6.00029325059054
C   9.53508619308043     17.07712534721496      4.87233759663609
H   8.81608654344270     16.84868029915573      4.06790448243777
C   10.40729753919382     18.13813118560947      4.71548785994722
H   10.37505610056458     18.76308327383595      3.81014442537204
C   11.31052588615793     18.40947071798452      5.71327217600538
H   12.04111055245804     19.22657965410956      5.60549735096781
C   11.36556398163309     17.64354235479300      6.86184852014449
C   12.42262820184582     17.95774521561643      7.87356757045750
C   13.70943266082400     17.43125848458739      7.70261339896543
C   14.70105791589100     17.76673174265553      8.61120996719779
H   15.71604173566764     17.36182189813693      8.45607507036686
C   14.46684093320153     18.59708552922647      9.69123772763697
C   13.18555990820504     19.10276468742758      9.84648785081003
H   12.97372412957651     19.77319728800482     10.69671454897020
C   12.15562102463694     18.79942799123760      8.95583265789738
C   10.77923603407979     19.38198654893975      9.14341074427542
H   10.47703905496699     19.97506857967959      8.25563708117774
H   10.71868706791669     20.03557324167389     10.03332987683297
H   10.02201999967046     18.57655928165691      9.23532089565313
C   15.56521769783956     18.95476964662058     10.65672221936604
H   15.69194553244998     20.05674558714344     10.71526915000468
H   16.53955435055097     18.52071650258850     10.35775430018541
H   15.34239460187844     18.61201490855100     11.68979205555205
C   14.01515836870456     16.51237431954232      6.54706537412325
H   13.27041207892975     15.69184366850658      6.50561727912393
H   15.02310070067806     16.06582110404105      6.64885775934521
H   13.94417421382700     17.03613589120185      5.57275065870449
C   8.57135659878082     15.14130011297581      6.05370406966148
C   8.98931096590094     13.82804314869461      5.83092452221368
C   8.06181461333528     12.80054768647870      5.87364372143854
H   8.40519528216151     11.76619108019850      5.70110239043229
C   6.71957587431543     13.03865812421014      6.12644778503182
C   6.32122596599628     14.34480837405971      6.31976196503526
H   5.25299191590129     14.54797520259630      6.50427338619745
C   7.21757486454173     15.41191939858576      6.30241331066138
C   6.74887397871079     16.81865386142787      6.56960412822423
H   7.24390143955315     17.24045279643826      7.46973510515794
H   5.65204075618114     16.85599051368168      6.71835734507237
H   7.00570712414436     17.50457524311159      5.73850147565703
C   5.72601984779783     11.89173736644864      6.19583270953796
H   5.76407728203078     11.24688594546610      5.29263680506839
H   4.68504761869665     12.25180205471716      6.31273436301029
H   5.94296837367635     11.23232263428423      7.06335322117225
C   10.43844101744125     13.50701605899287      5.55760944884407
H   10.81423531579849     14.06943520675112      4.67747970456867
H   10.58358584542103     12.42372016477444      5.38305993798342
H   11.07250550296376     13.81123146297356      6.41716754292043


120
Cartesian coordinate for calculated structure 9
Co  19.65651802768724      7.52121180609515      4.64638902335282
N   17.10525230971883      8.43832084925168      3.45108890622729
C   17.90419875601336      8.24494583571340      4.51556162706157
C   19.01482834191101      5.73150881684002      4.61194259698710
C   16.99790709478661      8.38603982646863      5.75661652074984
C   15.61722221730844      8.07869584674834      5.22121807766516
H   14.80939766651335      8.57848844729801      5.77958155712199
H   15.45183473073099      6.99639064917397      5.30142815531134
C   15.61170508760615      8.45166485019933      3.73065652886978
C   14.90096107945170      7.34369584380455      3.00110437051453
H   13.85101785527066      7.29989396418931      3.33407191715272
H   15.35881797091031      6.36736259491498      3.20280040235885
H   14.88447958291356      7.50831247985303      1.91427921267098
C   14.95405560197641      9.74885189214652      3.37653757097597
H   15.11599351745458      9.98058386176692      2.31447184902428
H   15.30496164398811     10.59491257866719      3.98017270271358
H   13.86590195648498      9.66993913769294      3.52512622507031
C   17.18625706592769      9.76744582130083      6.34300984989788
H   17.08777970082081     10.57428802459059      5.60064812095082
H   18.19021015452627      9.84985801798125      6.78147558109445
H   16.44716308891547      9.94403138168620      7.14234335591566
C   17.33489711911501      7.41150874225329      6.88758022054727
H   16.57222312197111      7.49052938900478      7.68256891771174
H   18.31401570080302      7.63580932577278      7.33835748339192
H   17.35737218059369      6.37146206142482      6.55248900523652
C   17.60800183287465      8.69447686319426      2.10981882562819
C   17.80296507703011      7.65103987369631      1.18241878470003
C   18.27241736494947      7.97260188248231     -0.08451253411542
H   18.40745196015602      7.16391050390342     -0.80612776272965
C   18.55858399899058      9.25994588242888     -0.45062067947427
H   18.92589228698169      9.48510176044564     -1.45628001784965
C   18.36179439957393     10.27385187564335      0.45986618243776
H   18.59574651064495     11.30084473378907      0.17195434579094
C   17.88313316729493     10.02447686357173      1.73646160853786
C   17.70793293268150     11.21885185230022      2.65345557524612
H   17.24953257167166     10.87801857672257      3.58694133629317
C   19.05447881124229     11.81822683946415      3.01451860174650
H   19.68604226560782     11.08391928668548      3.53347011588968
H   18.93289986498470     12.67846679660753      3.69356706538594
H   19.59713013041061     12.17430322057897      2.12513319041978
C   16.82349941165066     12.31588285282400      2.04227649337069
H   17.27528811987034     12.73359186359916      1.13014527631284
H   16.71957007783351     13.14147733106576      2.76470862415696
H   15.81324207508935     11.96279694644587      1.78891870920485
C   17.56821822496519      6.17885187242231      1.46861292803368
H   17.28293811038178      6.08903766937347      2.51949582074433
C   16.48093733711941      5.58275788077705      0.56301912198712
H   15.53054057850402      6.12749049147568      0.62810408675082
H   16.29457549541992      4.52867115223864      0.82829578688911
H   16.79375472516027      5.60667667399400     -0.49263569318743
C   18.85236909948861      5.36400884137925      1.27451890576451
H   19.23365912233638      5.44715459322641      0.24463409453287
H   18.66986821135552      4.29705570871281      1.47559666904897
H   19.63657915440445      5.71272912633606      1.95563389291849
C   17.88302031244205      4.75697683892982      4.58116652007828
H   17.90049565704155      4.23022698026430      3.61280667252069
H   16.90882638129237      5.27059984255144      4.62607760481295
C   17.96172866258027      3.73978981368114      5.70876015306746
H   18.90217858240333      3.16818074395703      5.65014317806893
H   17.12750089998968      3.01793363389493      5.67621935266223
H   17.94688361632961      4.23206139033227      6.69217630108358
C   20.29820664681242      5.73150879421683      4.68083440091969
C   21.43001464157805      4.75697677519175      4.71161045215109
H   21.41253978109759      4.23022686465169      5.67997032352357
H   22.40420850437059      5.27059986761497      4.66669940659086
C   21.35130726581578      3.73978977758634      3.58401679043903
H   20.41086041249480      3.16817592299972      3.64263640578448
H   22.18553868042549      3.01793760206181      3.61655498937986
H   21.36614692669765      4.23206139686294      2.60060066110984
N   22.20778277825125      8.43832073071156      5.84168816559219
C   21.40883632526986      8.24494577294871      4.77721543956238
C   22.31512798765380      8.38603976390523      3.53616054609908
C   23.69581385741900      8.07869572205045      4.07155898018147
H   24.50363778599969      8.57848972966608      3.51319591803787
H   23.86120229160714      6.99639075400554      3.99134837882867
C   23.70133000026763      8.45166468834168      5.56212054177844
C   24.41207397232726      7.34369563706626      6.29167266713787
H   25.46201710033764      7.29989377558818      5.95870470122607
H   23.95421710628079      6.36736234701495      6.08997691310872
H   24.42855621285754      7.50831243394734      7.37849778733100
C   24.35897952878230      9.74885169954977      5.91623953263043
H   24.19703962652684      9.98058504921632      6.97830472267580
H   24.00807457267668     10.59491153663393      5.31260261022137
H   25.44713337144326      9.66993829161143      5.76765293057210
C   22.12677906677242      9.76744578375383      2.94976725246960
H   22.22525743916373     10.57428831607264      3.69212850490117
H   21.12282619496129      9.84985885072603      2.51130106268880
H   22.86587321030158      9.94403037837260      2.15043381569007
C   21.97813792616090      7.41150872285368      2.40519682018199
H   22.74081075376154      7.49052949148421      1.61020757441152
H   20.99901880101552      7.63580928294670      1.95442056415879
H   21.95566267387139      6.37146222376307      2.74028826656780
C   21.70503426462046      8.69447672368669      7.18295825543447
C   21.51007098117254      7.65103971537528      8.11035826744991
C   21.04061770010195      7.97260170627085      9.37728959373819
H   20.90558306702496      7.16391031243621     10.09890478764322
C   20.75445211606137      9.25994570975822      9.74339777351911
H   20.38714393613714      9.48510158496450     10.74905717448517
C   20.95124075452174     10.27385172021922      8.83291093968254
H   20.71728895059339     11.30084472519105      9.12082248118140
C   21.42990197804601     10.02447672554323      7.55631550660461
C   21.60510225669064     11.21885173368210      6.63932157359075
H   22.06350173098005     10.87801779624222      5.70583550088061
C   20.25855640078052     11.81822678186995      6.27825856391858
H   19.62699273823891     11.08391903514203      5.75930708435862
H   20.38013546143797     12.67846620590182      5.59920941225719
H   19.71590497496409     12.17430364230075      7.16764354254488
C   22.48953681663022     12.31588268403959      7.25050069170259
H   22.03774593508323     12.73359506461322      8.16262937743966
H   22.59346983429744     13.14147510446908      6.52806681342279
H   23.49979243048739     11.96279534778883      7.50386335419071
C   21.74481778063716      6.17885171315023      7.82416408586381
H   22.03009699167352      6.08903725342233      6.77328090836785
C   22.83209764370697      5.58275865527473      8.72975787965988
H   23.78249434222137      6.12749152671552      8.66467273552390
H   23.01845992786479      4.52867169757369      8.46448215797417
H   22.51928029795612      5.60667821236669      9.78541264506277
C   20.46066587277968      5.36400872095437      8.01825808090136
H   20.07937763278883      5.44715219801208      9.04814374041208
H   20.64316576489419      4.29705595240928      7.81717797972207
H   19.67645537045322      5.71273166337621      7.33714505121214



