You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
385 lines
25 KiB
385 lines
25 KiB
75 |
|
energy: -110.830060472410 gnorm: 0.006867121227 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
|
Ni 0.07828004258115 0.88176698075741 -1.27292490171584 |
|
P 1.41658897046105 -0.00815423870404 -0.22674609440180 |
|
P -1.75370402002944 0.38695531403016 -0.19852647634920 |
|
N 1.11997073999923 0.89070035178507 -2.75909987184904 |
|
C 2.11688771598067 1.36763191664985 -3.21479238031500 |
|
C 3.20528306453374 1.80084008834109 -3.80444390950997 |
|
H -0.57164479291145 2.03652530357041 -1.90137768268988 |
|
C -3.35845435298075 0.64635474428722 -1.03542418690317 |
|
C -2.19243438855029 1.09073533362599 1.42134676136879 |
|
C -1.73643934516688 -1.42343609476839 -0.02205761932305 |
|
C 2.85172723740929 -0.77425339320566 -1.06879598224948 |
|
C 2.23195843769830 1.30344608587640 0.75671088341566 |
|
C 1.16496460468105 -1.24684344491312 1.10722563836631 |
|
C 2.04422592396696 2.62268720612952 0.35474792689807 |
|
C 2.63794905081058 3.66098554471000 1.05056766618675 |
|
C 3.42915010674661 3.38826098546593 2.15346285604396 |
|
C 3.62563201948251 2.07639266183811 2.55669058126369 |
|
C 3.03214825495613 1.03698129481532 1.86480812220203 |
|
H 3.18668465479603 0.01586444084169 2.18601632604091 |
|
H 1.41987857361368 2.82950822358917 -0.51551820273783 |
|
H 2.48299770175118 4.68139500668453 0.73184514875860 |
|
H 3.89462789788255 4.19556523746005 2.69992463917142 |
|
H 4.24652912905226 1.86231849418918 3.41499591753639 |
|
C -4.23993944273253 -0.37987687884067 -1.34939500697384 |
|
C -3.70234735002262 1.96262265256325 -1.32919013769864 |
|
C -4.91503475347359 2.25065832739431 -1.92330661255332 |
|
C -5.79356610463662 1.22420362509672 -2.23432026364342 |
|
C -5.45295201712869 -0.08664301468533 -1.94931327658203 |
|
H -6.13472999147496 -0.88833211101628 -2.19431408057934 |
|
H -6.74104254400785 1.44624810784827 -2.70277339086330 |
|
H -3.98241259745376 -1.40707567831745 -1.13199658715609 |
|
H -2.99950713856983 2.75235223859341 -1.09683361259193 |
|
H -5.17652342725500 3.27381946650316 -2.14968099226155 |
|
C 4.17569503967047 -0.43641880458911 -0.82686176231464 |
|
C 5.19066937936604 -1.05646799380359 -1.53602384843430 |
|
C 4.89540274120135 -2.01221063263183 -2.49211028783261 |
|
C 3.57491857898230 -2.34483825314053 -2.74840913730311 |
|
C 2.56098452179118 -1.72517237164792 -2.04513520061548 |
|
H 1.52672289568962 -1.95960960970165 -2.26348648572550 |
|
H 4.42248617203211 0.31937873149065 -0.09532798521229 |
|
H 6.21873100082521 -0.78389936230347 -1.34351885618791 |
|
H 5.69151863866265 -2.48863314055992 -3.04552921224699 |
|
H 3.33819956208610 -3.07953524513890 -3.50454703299123 |
|
C 1.47689337315749 -2.59176544691373 0.95021745691776 |
|
C 1.22039999283915 -3.49339272025256 1.96776635571689 |
|
C 0.64674455259800 -3.06700165013062 3.15279757081629 |
|
C 0.32209234412317 -1.73018554018236 3.31424867448034 |
|
C 0.57334320884602 -0.83024709269756 2.29718428015192 |
|
H 1.93076772334176 -2.93862428007462 0.03292980900263 |
|
H 1.47401140434471 -4.53521350262274 1.83377644337266 |
|
H 0.32065500350584 0.21277068982223 2.43316164642899 |
|
H 0.45306283864223 -3.77276823998362 3.94729388370485 |
|
H -0.12868091916980 -1.38635527531638 4.23459552846494 |
|
C -1.26174690840946 -2.07658275562020 -1.15913057343848 |
|
C -1.16207043227602 -3.45304597215587 -1.18379671857411 |
|
C -1.52826873576389 -4.18561083547243 -0.06473201978332 |
|
C -1.98865636513911 -3.53906459593985 1.06943518790190 |
|
C -2.09499499274339 -2.15846835170847 1.09751995464376 |
|
H -2.43961113713448 -1.66041876856714 1.99188322432513 |
|
H -0.97686433220172 -1.47589599647251 -2.02289552304607 |
|
H -0.79674957115592 -3.95767187968036 -2.06668513593799 |
|
H -1.44700115699999 -5.26259194481782 -0.07505730369624 |
|
H -2.26346232988640 -4.11254949591789 1.94277197173444 |
|
C -1.33853065347459 2.03471210915444 1.97997124322068 |
|
C -3.37168657845386 0.75301719359603 2.07756503806357 |
|
C -3.66187084581579 1.32155045363103 3.30404499546965 |
|
C -2.79164421949066 2.23955107190894 3.87211821867475 |
|
C -1.63482934896360 2.60574745269624 3.20461190934469 |
|
H -0.44517611172893 2.32404778808029 1.43780941528181 |
|
H -4.06331879952536 0.05934381452684 1.61946662637305 |
|
H -4.57363282703248 1.05374109455854 3.81824082851337 |
|
H -3.02411540326560 2.67917576123052 4.83094701671728 |
|
H -0.96531984812549 3.33567865362709 3.63604896241517 |
|
H 4.15825787759621 1.35325061973152 -3.58701934369225 |
|
H 3.16633280753476 2.57817954580469 -4.54448101295823 |
|
75 |
|
energy: -110.830087249832 gnorm: 0.001002516499 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
|
Ni 0.08087093892510 0.87968363882606 -1.26986858237174 |
|
P 1.41495042881319 -0.00732560342268 -0.22791055002180 |
|
P -1.75323303470689 0.38621303961495 -0.19794132689769 |
|
N 1.12134766063993 0.89095425961678 -2.75692890973092 |
|
C 2.11794769517175 1.36906214209431 -3.21207348906935 |
|
C 3.20599771108090 1.80394801183349 -3.80116095726323 |
|
H -0.56696256500640 2.03430237235604 -1.90106720479491 |
|
C -3.35769769443327 0.64607500860939 -1.03545571840882 |
|
C -2.19227685445517 1.09058991776290 1.42157917450572 |
|
C -1.73648055833779 -1.42411716634202 -0.02177883360685 |
|
C 2.85068833445457 -0.77384467471092 -1.06912496860389 |
|
C 2.23128445833459 1.30360422659832 0.75584270765450 |
|
C 1.16450715806863 -1.24613425087486 1.10645544037754 |
|
C 2.04370068750485 2.62291768973183 0.35413951610758 |
|
C 2.63758412187900 3.66107949968168 1.05003118026305 |
|
C 3.42887726124657 3.38821510797431 2.15281803731534 |
|
C 3.62533062653469 2.07628636491143 2.55584765799134 |
|
C 3.03171655178175 1.03697877073257 1.86383747048343 |
|
H 3.18629875012303 0.01583912148001 2.18496994226553 |
|
H 1.41931399367385 2.82985579825594 -0.51604671933375 |
|
H 2.48265677843030 4.68153562298693 0.73145559298666 |
|
H 3.89442584174173 4.19544955183682 2.69934141856314 |
|
H 4.24627015009333 1.86212312709122 3.41411792406251 |
|
C -4.23921791650793 -0.38001793150420 -1.34982972988107 |
|
C -3.70179473671398 1.96247862197253 -1.32860308918219 |
|
C -4.91451810561054 2.25070658422638 -1.92262376581397 |
|
C -5.79295103855038 1.22433466591770 -2.23415714142836 |
|
C -5.45227136942788 -0.08658816201951 -1.94961385285184 |
|
H -6.13398129277981 -0.88821221650140 -2.19503111548883 |
|
H -6.74035874930817 1.44649653455076 -2.70271476055784 |
|
H -3.98179371512748 -1.40727317321453 -1.13261871769832 |
|
H -2.99914819501793 2.75221173207505 -1.09568325705273 |
|
H -5.17607409102034 3.27393872263232 -2.14862819806836 |
|
C 4.17480415766588 -0.43633471462304 -0.82688808109373 |
|
C 5.18992857569569 -1.05658495418232 -1.53578173215428 |
|
C 4.89482348828616 -2.01242074854444 -2.49180446340079 |
|
C 3.57436210714486 -2.34493035097711 -2.74829712633955 |
|
C 2.56027903497675 -1.72502489487103 -2.04536847401634 |
|
H 1.52609404835481 -1.95953044085518 -2.26391244718725 |
|
H 4.42164357981086 0.31949771938210 -0.09541239281880 |
|
H 6.21801755369661 -0.78414471518421 -1.34313433156669 |
|
H 5.69102595907767 -2.48904472890658 -3.04496684503403 |
|
H 3.33778650792892 -3.07976976241613 -3.50434800800311 |
|
C 1.47652107568604 -2.59114084366309 0.94962238759708 |
|
C 1.22021819378746 -3.49275557751669 1.96729833676799 |
|
C 0.64677895821239 -3.06634992596931 3.15241731404745 |
|
C 0.32226953683210 -1.72951110239206 3.31386160056894 |
|
C 0.57335913879920 -0.82958256407363 2.29670879672332 |
|
H 1.93029177649885 -2.93812830348455 0.03233715209032 |
|
H 1.47372212520761 -4.53461857390906 1.83333839717772 |
|
H 0.32077049464310 0.21342552755688 2.43281341770385 |
|
H 0.45316059588456 -3.77209756072542 3.94697002311811 |
|
H -0.12836144027306 -1.38567032143438 4.23427972939900 |
|
C -1.26186258985429 -2.07711631502968 -1.15894191552458 |
|
C -1.16230692325861 -3.45355574377750 -1.18376497086562 |
|
C -1.52855328344314 -4.18616547790886 -0.06474317612158 |
|
C -1.98883738750253 -3.53967954974753 1.06951384167902 |
|
C -2.09509498550797 -2.15911977583602 1.09772045201673 |
|
H -2.43946322130758 -1.66106940186251 1.99217865294408 |
|
H -0.97693341889177 -1.47632725154881 -2.02264263821553 |
|
H -0.79706893037551 -3.95810374574158 -2.06672920456474 |
|
H -1.44741739771433 -5.26314265547151 -0.07517712942451 |
|
H -2.26364268267010 -4.11317350361198 1.94283092509944 |
|
C -1.33861187099485 2.03485988411253 1.98006695434269 |
|
C -3.37151424904105 0.75277961063234 2.07773617897203 |
|
C -3.66183333685472 1.32137282429718 3.30414226955539 |
|
C -2.79184581311701 2.23967144310311 3.87210727523592 |
|
C -1.63508549336458 2.60602810207988 3.20459729890291 |
|
H -0.44528712992458 2.32428596618532 1.43790729098289 |
|
H -4.06292540068158 0.05880546114126 1.61976101239551 |
|
H -4.57352944281423 1.05338750917421 3.81835827781249 |
|
H -3.02449386916838 2.67944652879665 4.83082120017131 |
|
H -0.96577192648904 3.33619994800265 3.63592677161693 |
|
H 4.15832191220540 1.35265975934880 -3.58859135385740 |
|
H 3.16566274144876 2.57741626568244 -4.54521644113188 |
|
75 |
|
energy: -110.830080116484 gnorm: 0.001207068916 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
|
Ni 0.08069799816839 0.88129246222120 -1.26998207900788 |
|
P 1.41470435401286 -0.00683595445268 -0.22839486146492 |
|
P -1.75265038732021 0.38550734732035 -0.19724669893835 |
|
N 1.12105473449248 0.88931972050927 -2.75741238221329 |
|
C 2.11848608223673 1.36431658084658 -3.21405086046765 |
|
C 3.20486112677130 1.79777231920185 -3.80726079330538 |
|
H -0.56880352144376 2.03503557503883 -1.90118089920751 |
|
C -3.35687069370003 0.64579642704593 -1.03520775343398 |
|
C -2.19201414617938 1.09026191188565 1.42197559826302 |
|
C -1.73635301843218 -1.42480045664849 -0.02135060979509 |
|
C 2.85042944620243 -0.77389001172753 -1.06929891306423 |
|
C 2.23118639051177 1.30402539878029 0.75534728470106 |
|
C 1.16427562213467 -1.24569278545026 1.10606205092886 |
|
C 2.04359698069810 2.62337286966507 0.35371750707993 |
|
C 2.63747745700484 3.66148272467174 1.04964846696295 |
|
C 3.42882561006125 3.38850987924203 2.15234977189128 |
|
C 3.62531908830487 2.07653654968751 2.55524665658915 |
|
C 3.03163095638094 1.03730098002480 1.86325070775685 |
|
H 3.18623911904068 0.01612498111427 2.18424616676755 |
|
H 1.41926058315725 2.83042274073468 -0.51648208106470 |
|
H 2.48250853789488 4.68195701200268 0.73114467816124 |
|
H 3.89440208079555 4.19569757222050 2.69890077969447 |
|
H 4.24633991784611 1.86227653701544 3.41342292841267 |
|
C -4.23828864129313 -0.38016521729453 -1.35031727400422 |
|
C -3.70104126775273 1.96234514798759 -1.32768729260772 |
|
C -4.91369316719053 2.25082244272359 -1.92175010080200 |
|
C -5.79199533128801 1.22456305543054 -2.23403691438155 |
|
C -5.45126269426519 -0.08648620360884 -1.95015060296399 |
|
H -6.13290341149827 -0.88801507388681 -2.19607362107597 |
|
H -6.73936514709597 1.44692065786134 -2.70258483672194 |
|
H -3.98086842335801 -1.40752703349341 -1.13362757375483 |
|
H -2.99854651086936 2.75202464668968 -1.09413348601558 |
|
H -5.17534092519237 3.27416872386011 -2.14713468542640 |
|
C 4.17455467456240 -0.43661448745223 -0.82700419679385 |
|
C 5.18963459270498 -1.05713335319584 -1.53567621088234 |
|
C 4.89447996786360 -2.01306225520059 -2.49158779117379 |
|
C 3.57398653273945 -2.34534467830322 -2.74819676342728 |
|
C 2.55996479609953 -1.72512605312090 -2.04546699598672 |
|
H 1.52574407640167 -1.95942484241122 -2.26415633161398 |
|
H 4.42145048620461 0.31933476359331 -0.09568192440081 |
|
H 6.21773833546374 -0.78483458327588 -1.34293150575477 |
|
H 5.69066206223934 -2.48992185363703 -3.04457467764879 |
|
H 3.33735353925553 -3.08026550547441 -3.50416038648073 |
|
C 1.47605492088787 -2.59074373709928 0.94927005122768 |
|
C 1.21981540950807 -3.49227822606593 1.96701469642916 |
|
C 0.64663462063024 -3.06574663562631 3.15221253010970 |
|
C 0.32232597936422 -1.72885904249853 3.31362988035744 |
|
C 0.57334764477155 -0.82904740699928 2.29637121952655 |
|
H 1.92963166468298 -2.93785181697380 0.03193540302506 |
|
H 1.47319569330869 -4.53417413225650 1.83306539259440 |
|
H 0.32103228543035 0.21402372344907 2.43252640667513 |
|
H 0.45306945355945 -3.77142384378797 3.94683999549752 |
|
H -0.12801978359573 -1.38487497065852 4.23413858680746 |
|
C -1.26187940718656 -2.07765458629823 -1.15865799878014 |
|
C -1.16261612133873 -3.45410897168552 -1.18373088696457 |
|
C -1.52898105079629 -4.18683148070277 -0.06481232600193 |
|
C -1.98907752491159 -3.54045576460841 1.06958478371186 |
|
C -2.09508220750783 -2.15988493226746 1.09803384836481 |
|
H -2.43930629927002 -1.66189844090176 1.99258146167544 |
|
H -0.97682652832209 -1.47672938094554 -2.02225033628409 |
|
H -0.79747449504591 -3.95857312678156 -2.06678145269943 |
|
H -1.44802031504716 -5.26381658358434 -0.07541598917358 |
|
H -2.26392285123170 -4.11403259799099 1.94283086429420 |
|
C -1.33873241622402 2.03503216195789 1.98019207552724 |
|
C -3.37121177050394 0.75226807448060 2.07809094483168 |
|
C -3.66181480153162 1.32112159573135 3.30430443471344 |
|
C -2.79217914220501 2.23988550024048 3.87206210233715 |
|
C -1.63550335931197 2.60646801349809 3.20452199041764 |
|
H -0.44541873700552 2.32454218239874 1.43804161978063 |
|
H -4.06237744351510 0.05797750255578 1.62022456409791 |
|
H -4.57344279810203 1.05295004178044 3.81854021820902 |
|
H -3.02501454337339 2.67980858294154 4.83066007909351 |
|
H -0.96644683891241 3.33695626104486 3.63570814865892 |
|
H 4.16010047682554 1.35768608977863 -3.58441939594971 |
|
H 3.16568242368737 2.58432726914501 -4.53765440538835 |
|
75 |
|
energy: -110.830090540995 gnorm: 0.000911324646 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
|
Ni 0.07980172447341 0.88106936184447 -1.27095005539555 |
|
P 1.41480163964620 -0.00703153269392 -0.22857666738011 |
|
P -1.75253849267543 0.38513636743248 -0.19697097812919 |
|
N 1.12210600867169 0.89044507557885 -2.75706954730203 |
|
C 2.11930744038237 1.36803506678003 -3.21148221647875 |
|
C 3.20648353575273 1.80393117005206 -3.80128954437832 |
|
H -0.57088249557834 2.03471211098674 -1.90117168478851 |
|
C -3.35664434766897 0.64561395157074 -1.03501587381049 |
|
C -2.19189489758932 1.09000614400666 1.42218565249331 |
|
C -1.73626711984054 -1.42517049216632 -0.02110135117805 |
|
C 2.85047773450149 -0.77410146438273 -1.06946158694307 |
|
C 2.23105750706209 1.30413433567852 0.75507004723382 |
|
C 1.16417805212218 -1.24568244571059 1.10598889186492 |
|
C 2.04344795832141 2.62352209332845 0.35347313596111 |
|
C 2.63734400229461 3.66163695002286 1.04938532975260 |
|
C 3.42875205438078 3.38865347172668 2.15203025208950 |
|
C 3.62528328516181 2.07666827744724 2.55487124217003 |
|
C 3.03155107420803 1.03744364817843 1.86291808853100 |
|
H 3.18620853016230 0.01626393429648 2.18386397579182 |
|
H 1.41913429476847 2.83069743257675 -0.51671938979798 |
|
H 2.48234815478505 4.68211681435996 0.73089564924317 |
|
H 3.89435343142175 4.19583417687340 2.69856563119120 |
|
H 4.24638177146091 1.86238304567047 3.41297913039268 |
|
C -4.23792399342429 -0.38029383573730 -1.35062651034495 |
|
C -3.70078159847767 1.96224481820506 -1.32710736957246 |
|
C -4.91333859242523 2.25087190113317 -1.92126177321142 |
|
C -5.79154773088452 1.22467424042221 -2.23403323777475 |
|
C -5.45080162431330 -0.08646300921522 -1.95056176996964 |
|
H -6.13236941719492 -0.88794048025891 -2.19684041528433 |
|
H -6.73887233127711 1.44715655962508 -2.70260347463662 |
|
H -3.98045223036564 -1.40772133112892 -1.13430709701300 |
|
H -2.99832807389719 2.75186193197285 -1.09320891896414 |
|
H -5.17500056889639 3.27428888216189 -2.14629734135823 |
|
C 4.17456641278134 -0.43686040595960 -0.82715713849852 |
|
C 5.18961122524792 -1.05754131160544 -1.53569480817693 |
|
C 4.89441171390590 -2.01353290069452 -2.49153231369881 |
|
C 3.57390122675135 -2.34568970188861 -2.74822438006737 |
|
C 2.55992780166371 -1.72531363761120 -2.04560187940698 |
|
H 1.52567457276091 -1.95945174869608 -2.26436279182472 |
|
H 4.42146628153303 0.31914167942308 -0.09588607613101 |
|
H 6.21771749534433 -0.78531837854704 -1.34288221571334 |
|
H 5.69057628820207 -2.49052312663450 -3.04441530428523 |
|
H 3.33721661607816 -3.08063922373366 -3.50414154763904 |
|
C 1.47580605030981 -2.59073480324945 0.94923646199711 |
|
C 1.21956358357819 -3.49215754589402 1.96704798478196 |
|
C 0.64652464196580 -3.06547237158783 3.15226394640241 |
|
C 0.32234467573158 -1.72854306576616 3.31361934795337 |
|
C 0.57334006476161 -0.82885920819150 2.29625900846976 |
|
H 1.92924302806692 -2.93792747543731 0.03186313043899 |
|
H 1.47284754230381 -4.53407588716904 1.83312892770691 |
|
H 0.32117939632257 0.21426472126852 2.43235676285679 |
|
H 0.45297146676330 -3.77106808706173 3.94695661527860 |
|
H -0.12784949607409 -1.38441983377053 4.23415041688339 |
|
C -1.26191758961343 -2.07799162186919 -1.15848794682121 |
|
C -1.16282189028415 -3.45445972064013 -1.18367605438811 |
|
C -1.52923598482945 -4.18723210113158 -0.06480391835097 |
|
C -1.98920738388090 -3.54089789946150 1.06966483501285 |
|
C -2.09502878664697 -2.16030679110124 1.09824528170072 |
|
H -2.43919005570217 -1.66235920707167 1.99283762759322 |
|
H -0.97680182444630 -1.47702029871044 -2.02202672880885 |
|
H -0.79775394773795 -3.95889442446984 -2.06677260390850 |
|
H -1.44839242820091 -5.26422620962573 -0.07549619782532 |
|
H -2.26408890665445 -4.11452117698624 1.94287009017710 |
|
C -1.33883216710316 2.03508731682728 1.98021151574903 |
|
C -3.37103706107927 0.75189230340145 2.07833608382620 |
|
C -3.66180776626739 1.32095661802116 3.30441230787677 |
|
C -2.79238463567688 2.24002712448863 3.87199828149766 |
|
C -1.63577288054921 2.60672846021230 3.20440752584637 |
|
H -0.44556655745351 2.32468487227072 1.43801697691082 |
|
H -4.06206383677560 0.05740594378565 1.62055916213666 |
|
H -4.57339794338578 1.05270440984939 3.81867141407816 |
|
H -3.02532902847481 2.68007880645894 4.83051068516129 |
|
H -0.96689201369058 3.33745468519148 3.63546370655770 |
|
H 4.15952112208772 1.35452532556150 -3.58808875133124 |
|
H 3.16599629338708 2.58219872717877 -4.54023766297062 |
|
75 |
|
energy: -110.830092138474 gnorm: 0.000528796768 xtb: 6.4.1 (060166e8e329d5f5f0e407f406ce482635821d54) |
|
Ni 0.08024427094612 0.88030997583889 -1.27008783828989 |
|
P 1.41497771575524 -0.00714867347512 -0.22890953738001 |
|
P -1.75230087048645 0.38476234738698 -0.19668297223499 |
|
N 1.12155635089810 0.89187633675014 -2.75690744217788 |
|
C 2.11835491422073 1.37038386158506 -3.21126537312849 |
|
C 3.20663630914065 1.80577132901243 -3.79953027379204 |
|
H -0.56921926710232 2.03394294791625 -1.90183491699665 |
|
C -3.35640013119622 0.64531614208838 -1.03459197146712 |
|
C -2.19167612242653 1.08963352859401 1.42248337325409 |
|
C -1.73604449502242 -1.42558363427943 -0.02075677851768 |
|
C 2.85047996028356 -0.77427535070777 -1.06988803483311 |
|
C 2.23102732464868 1.30430346941366 0.75445684312796 |
|
C 1.16406330793213 -1.24550160196729 1.10581770386264 |
|
C 2.04316351219274 2.62364545972164 0.35287949503565 |
|
C 2.63702909124270 3.66182348883229 1.04877405332241 |
|
C 3.42859346061043 3.38893750703839 2.15135772444828 |
|
C 3.62530705962588 2.07698351868867 2.55418868716394 |
|
C 3.03165096172695 1.03769919423120 1.86224563663885 |
|
H 3.18634489391197 0.01653532424719 2.18323642540910 |
|
H 1.41864774727145 2.83075244737601 -0.51718486505865 |
|
H 2.48189467022388 4.68229152170525 0.73032030983572 |
|
H 3.89417555723984 4.19615973742794 2.69785870871670 |
|
H 4.24648962834332 1.86275192050331 3.41225400171069 |
|
C -4.23740995036257 -0.38050985253466 -1.35113551420133 |
|
C -3.70054884330393 1.96209283734594 -1.32592360820539 |
|
C -4.91291283309764 2.25097092043514 -1.92029499987943 |
|
C -5.79091340973570 1.22487334433715 -2.23398191038373 |
|
C -5.45011719190370 -0.08641658409241 -1.95128083984541 |
|
H -6.13148236137674 -0.88781769554061 -2.19835300335951 |
|
H -6.73808829548318 1.44756131814317 -2.70274209774079 |
|
H -3.97984794908461 -1.40804659010646 -1.13543502121794 |
|
H -2.99817464931393 2.75160439610536 -1.09141928768061 |
|
H -5.17453993591038 3.27450180657596 -2.14484095427247 |
|
C 4.17459164421984 -0.43722555348943 -0.82745854672754 |
|
C 5.18959173561079 -1.05826246679565 -1.53577053393631 |
|
C 4.89428678068484 -2.01436632827174 -2.49146766217159 |
|
C 3.57373060117103 -2.34628539689413 -2.74828490295612 |
|
C 2.55979809734218 -1.72558371015173 -2.04589305342032 |
|
H 1.52551876494858 -1.95953203465318 -2.26471231351834 |
|
H 4.42153855922872 0.31882863274711 -0.09624713527834 |
|
H 6.21772827156207 -0.78621161764932 -1.34288788131147 |
|
H 5.69041671558501 -2.49163095531779 -3.04415945671998 |
|
H 3.33697654182036 -3.08128169150514 -3.50412762067127 |
|
C 1.47536951888857 -2.59063178695704 0.94909652223569 |
|
C 1.21909695627136 -3.49190114380949 1.96703994192876 |
|
C 0.64633593374008 -3.06497322808563 3.15230736240645 |
|
C 0.32245421332866 -1.72796019700436 3.31360343438282 |
|
C 0.57351087324393 -0.82840451515219 2.29613616207207 |
|
H 1.92858893750176 -2.93798597905753 0.03167440832248 |
|
H 1.47213748084837 -4.53388045729795 1.83316640970535 |
|
H 0.32152025251750 0.21477047950136 2.43213950541296 |
|
H 0.45277013416650 -3.77045479265004 3.94709466183128 |
|
H -0.12759674051841 -1.38366996491308 4.23413644853449 |
|
C -1.26193158729539 -2.07841327309514 -1.15824643613990 |
|
C -1.16314505039719 -3.45490441813362 -1.18362497345348 |
|
C -1.52965474541254 -4.18775328550960 -0.06483847858757 |
|
C -1.98941207749603 -3.54145923941746 1.06973473775901 |
|
C -2.09490482834913 -2.16083305047144 1.09851284906891 |
|
H -2.43890280254091 -1.66296941229801 1.99321009031093 |
|
H -0.97680101270261 -1.47740579885295 -2.02173442794100 |
|
H -0.79830678516057 -3.95931752404638 -2.06682883394628 |
|
H -1.44912245713620 -5.26477456896227 -0.07570751070465 |
|
H -2.26441274834188 -4.11515939285543 1.94285788623495 |
|
C -1.33899702123299 2.03521838306450 1.98025828619547 |
|
C -3.37070310873479 0.75125660964137 2.07872121054722 |
|
C -3.66175048524124 1.32060694174914 3.30460326900669 |
|
C -2.79271695562988 2.24020879401778 3.87191884869224 |
|
C -1.63622502064262 2.60714685999507 3.20425371868321 |
|
H -0.44586719979463 2.32505703036032 1.43797870721434 |
|
H -4.06144157566544 0.05636029395033 1.62113501509113 |
|
H -4.57328065626997 1.05220506311044 3.81889234490696 |
|
H -3.02591061671016 2.68054057363805 4.83024342960527 |
|
H -0.96770807874297 3.33835618342170 3.63505826083519 |
|
H 4.15918368328721 1.35537509224269 -3.58602614507926 |
|
H 3.16709542772868 2.58322614727192 -4.53941332023278
|
|
|