Version2.5 2023-01-04T05:07:34Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 29-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=NC2=CC(=N)N(N)C2=C1C RHF 6-31G(d) (6D,7F) CC1=NC2=CC(=N)N(N)C2=C1C C1[X(C8H10N4)] 60 C1 200 CC1=NC2=CC(=N)N(N)C2=C1C N=C1C=C2C(=C(C(=N2)C)C)N1N CC1=NC2=CC(=N)N(N)C2=C1C InChIKey=LMHPLGHWFXQJJA-UHFFFAOYSA-N InChI=1S/C8H10N4/c1-4-5(2)11-6-3-7(9)12(10)8(4)6/h3,9H,10H2,1-2H3 InChI=1/C8H10N4/c1-4-5(2)11-6-3-7(9)12(10)8(4)6/h3,9H,10H2,1-2H3 CC1=NC2=CC(=N)N(N)C2=C1C C01[X(C8H10N4)] 60 C1 200 CC1=NC2=CC(=N)N(N)C2=C1C C[C@H]1N[C@H]2[C@H]([C@@H]1C)N([C@H](C2)N)N C[C@H]1N[C@@H]2C[C@H](N)N(N)[C@H]2[C@@H]1C InChIKey=IPDHXIMIJVEXPV-PVFLNQBWSA-N InChI=1S/C8H18N4/c1-4-5(2)11-6-3-7(9)12(10)8(4)6/h4-8,11H,3,9-10H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 InChI=1/C8H18N4/c1-4-5(2)11-6-3-7(9)12(10)8(4)6/h4-8,11H,3,9-10H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 5.259199786674D+02 -2.594515728107D+03 682.5701559256 -526.4842596 1-A 2053.9456 43 157 200 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.62549 -15.59867 -15.54717 -15.54254 -11.32846 -11.29838 -11.28246 -11.27575 -11.24995 -11.23132 -11.22976 -11.22449 -1.36578 -1.28116 -1.21905 -1.15370 -1.07197 -1.02722 -1.00208 -0.94484 -0.86161 -0.80458 -0.76811 -0.73437 -0.71212 -0.66550 -0.65615 -0.64693 -0.62372 -0.61206 -0.57330 -0.56346 -0.56281 -0.55173 -0.53791 -0.51068 -0.49428 -0.44952 -0.43165 -0.42885 -0.41812 -0.34595 -0.30288 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.05618 0.22272 0.22953 0.23705 0.25168 0.25983 0.28369 0.29317 0.29686 0.30212 0.30538 0.32331 0.33067 0.36707 0.38693 0.40155 0.40551 0.41924 0.44808 0.48372 0.50919 0.53017 0.55749 0.59912 0.62642 0.67574 0.69064 0.71955 0.72655 0.75640 0.77100 0.77125 0.77484 0.79355 0.80903 0.81778 0.82748 0.83754 0.85076 0.87501 0.90484 0.94125 0.94428 0.95988 0.98264 0.98688 0.98699 1.02024 1.03517 1.03736 1.05128 1.06796 1.07066 1.08500 1.11434 1.11805 1.14194 1.14937 1.16514 1.17010 1.17403 1.19338 1.19703 1.20768 1.21545 1.23224 1.23847 1.26497 1.28096 1.32808 1.36081 1.38953 1.40240 1.45967 1.51831 1.52705 1.55626 1.57704 1.58522 1.62235 1.64287 1.64380 1.66283 1.69937 1.70764 1.71542 1.73931 1.77788 1.85124 1.87465 1.89566 1.97214 1.99510 2.00087 2.03415 2.03827 2.06164 2.10904 2.11136 2.16297 2.19347 2.22148 2.22498 2.28119 2.32116 2.33791 2.37087 2.38229 2.39069 2.43312 2.48802 2.49550 2.50906 2.51597 2.53491 2.60639 2.62303 2.63727 2.64704 2.65373 2.67285 2.70614 2.72308 2.72637 2.75045 2.81273 2.83363 2.85940 2.88393 2.92996 2.93422 2.99051 3.03408 3.06447 3.06515 3.07183 3.11634 3.15284 3.22236 3.28149 3.38217 3.48722 3.61021 3.65735 3.74389 4.19324 4.42754 4.48785 4.52184 4.54905 4.66656 4.71213 4.80056 4.89285 4.91490 4.98295 5.19579
9.77044
0.3004 1.0374 -0.0005 1.0800 |XX|YY|ZZ|XY|XZ|YZ| -65.7287 -70.5109 -70.5497 6.0842 0.0009 0.0002
|XX|YY|ZZ|XY|XZ|YZ| 3.2011 -1.5811 -1.6200 6.0842 0.0009 0.0002
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 27.7617 6.6260 -0.0026 -33.8241 -2.0067 -0.0032 -3.9380 7.2282 0.0009 -0.0011
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1888.1558 -787.1302 -86.1191 22.8138 0.0068 25.6076 0.0068 0.0043 -0.0030 -373.3313 -319.1083 -143.0902 0.0072 0.0002 -10.1064
0 |0.57769528|0.01115917|0.68106899|-0.00045391|-0.00007652|0.60674778|-0.26622885|-0.02554705|-0.00236000|0.85439133|-0.00967028|-0.10985050|-0.00009794|-0.16847178|0.72043389|-0.00241160|-0.00032732|-0.09699874|0.00941864|-0.00397108|0.23925652|-0.02531776|0.04293796|-0.00057531|-0.27008942|0.19484257|-0.00335927|0.58095968|0.00583063|0.00368465|0.00008796|0.18528146|-0.43886110|0.00382142|-0.10145966|0.68618330|-0.00045650|0.00062397|0.00503010|-0.00332778|0.00395909|-0.08068535|0.00720168|-0.00332550|0.10434840|0.00186184|0.00091836|-0.00025117|-0.10054830|0.07399472|-0.00163917|-0.23575610|-0.06304214|-0.00197658|1.04921716|0.00165839|-0.00760149|0.00010932|0.05231712|0.03145325|0.00064410|-0.10210028|-0.16052468|-0.00123066|-0.12911715|0.65609883|-0.00025318|0.00009855|0.01904093|-0.00157148|0.00095444|-0.00326561|-0.00185159|-0.00066664|-0.08473385|0.01291457|-0.00336705|0.18096246|-0.00112932|0.00247494|-0.00000198|0.00315635|-0.01974186|0.00007878|-0.04291176|0.02419539|-0.00080954|-0.51528652|0.18265751|-0.00712835|0.82839995|-0.00026415|0.00263701|-0.00001722|-0.00505158|-0.00910018|-0.00003727|-0.00999553|0.02682438|-0.00020444|0.15309341|-0.21124307|0.00268315|-0.21868858|0.83834817|0.00000700|0.00002226|-0.00155993|0.00003264|-0.00024566|0.00204855|-0.00069923|0.00028734|0.00799721|-0.00703652|0.00310782|-0.06025424|0.01072586|-0.00539586|0.13067002|0.00020519|0.00064397|0.00003910|-0.00719499|-0.01015490|-0.00011669|0.00094188|0.00781493|-0.00020470|-0.06078778|-0.01588600|-0.00079309|-0.13690342|-0.03860745|-0.00074133|1.15942151|0.00082881|-0.00402046|0.00001649|-0.00006157|0.02283817|-0.00006320|0.01785159|-0.02305639|0.00037471|-0.02683767|0.01310591|-0.00043393|-0.04678420|-0.20827636|-0.00025213|0.02682131|0.59947345|0.00003851|0.00001319|-0.00264469|-0.00014872|-0.00020792|0.00311021|-0.00023625|0.00022778|0.01342224|-0.00075763|-0.00027659|-0.00211719|-0.00071406|-0.00013249|-0.07638004|0.01353649|-0.00087706|0.20378155|-0.00031503|-0.00031711|-0.00001377|0.00366254|0.01024222|0.00001714|0.00185342|-0.00261968|0.00009265|0.00230758|-0.01192090|0.00003285|-0.03783033|-0.00317306|-0.00096658|-0.72852822|-0.08596869|-0.00918398|0.94603152|-0.00023967|0.00125139|-0.00000515|0.00035463|-0.00568888|0.00002392|-0.00475642|0.00723754|-0.00010505|0.00060144|-0.00782946|0.00004257|-0.03727769|0.01500220|-0.00048264|-0.00993389|-0.14622853|0.00011549|-0.14572566|0.55203351|-0.00001409|-0.00000607|0.00071547|0.00004763|0.00016331|0.00023839|0.00009892|-0.00007246|-0.00405255|-0.00000642|-0.00013580|0.00273016|-0.00086005|0.00000200|0.03057272|-0.00942126|-0.00096226|-0.06451861|0.01293661|-0.00358453|0.06922357|0.00057615|-0.00351850|0.00002643|0.00533764|0.03076677|-0.00014413|0.00948108|-0.01558007|0.00019995|-0.01562021|-0.03503785|-0.00021124|0.01213728|-0.01283379|0.00005116|-0.16103682|0.02495909|-0.00155367|-0.07581262|0.06380006|-0.00129945|0.80842774|-0.00006579|0.00281921|-0.00001162|0.00410962|-0.02153872|0.00015476|-0.01638712|0.00306725|-0.00024864|-0.02955607|-0.02979822|-0.00031613|0.00093658|-0.05455532|0.00021539|0.04245279|-0.24382009|0.00118492|0.03421090|0.00621919|0.00047294|0.14530019|0.85177183|0.00001545|-0.00006142|-0.00046651|-0.00005613|0.00054313|0.00850536|0.00019748|-0.00023833|-0.00079276|-0.00021987|-0.00039627|0.00681065|0.00000394|0.00002216|0.01105222|-0.00163975|0.00096699|-0.05586499|-0.00120667|0.00089708|0.00176347|0.00981742|-0.00044853|0.08896307|0.00001880|-0.00006272|0.00000008|0.00021613|-0.00157025|0.00000932|-0.00103337|-0.00255213|-0.00003820|-0.00606359|0.00119221|-0.00013902|-0.00271736|0.00374674|-0.00007923|0.01161661|0.01370169|0.00018107|-0.00003227|0.00613963|0.00001666|-0.14344164|-0.13077537|-0.00057476|0.52664898|-0.00007903|0.00037456|-0.00000224|-0.00035759|-0.00236475|0.00000159|-0.00090043|0.00211929|-0.00001222|0.00208913|0.00334313|0.00003224|0.00401545|-0.00290642|0.00007339|-0.01285281|-0.03575406|-0.00006909|-0.00487291|0.00313282|-0.00008845|-0.04537805|-0.31160784|0.00017082|0.18625644|0.44727648|0.00000009|-0.00000197|0.00002612|0.00000546|-0.00001634|-0.00013121|-0.00004241|-0.00003711|0.00217614|-0.00014895|0.00001831|0.00330392|-0.00007761|0.00006903|0.00210010|0.00027579|0.00028481|-0.00472822|0.00005077|0.00006793|-0.00258772|-0.00085562|-0.00100157|-0.07168492|-0.00412861|0.00380259|0.77223679|-0.00021372|-0.00189410|-0.00002434|-0.06837277|-0.08687226|-0.00072505|-0.04721290|0.00128608|-0.00087019|-0.07963347|0.00470740|-0.00004960|-0.01290988|0.03218303|-0.00031579|-0.07643437|0.05480918|-0.00107421|0.01547998|-0.00653668|0.00020174|-0.34565095|-0.05783619|-0.00427481|0.00179631|-0.01164399|0.00023255|1.07141104|-0.00011382|-0.00582446|0.00002300|-0.02760961|0.01556856|-0.00044455|-0.02371223|-0.04046533|-0.00017370|-0.00698146|-0.25529093|0.00046510|0.01661321|-0.02843140|0.00033571|0.02256950|0.04301576|0.00014866|0.01023034|-0.01490778|0.00019885|-0.05300439|-0.17333369|-0.00030594|-0.03866458|-0.01107281|-0.00057829|-0.08351557|0.67945011|-0.00002986|-0.00000305|0.00187419|-0.00091854|-0.00130087|0.00117301|-0.00078849|0.00018958|0.01269841|-0.00001147|0.00063939|-0.07739566|-0.00026808|0.00056083|0.00205925|-0.00095304|0.00060550|-0.01459866|0.00015446|-0.00004016|0.00253976|-0.00433850|-0.00038667|-0.03544237|0.00034509|-0.00017456|-0.01262629|0.01337596|-0.00285988|0.16328988|-0.00953672|-0.02696184|-0.00017675|-0.13761359|-0.00127382|-0.00086230|0.03467425|-0.02812610|0.00018776|-0.03269911|0.01658305|-0.00049084|0.00505179|0.00134605|0.00002499|0.01086657|-0.01787912|0.00016590|-0.01051344|0.00331474|-0.00016310|-0.05410841|0.02162293|-0.00097948|0.00343153|0.00232735|0.00004718|-0.45751253|0.15150367|-0.00616732|0.79016603|-0.00040253|0.00912204|-0.00000734|-0.03558919|-0.17987246|-0.00018742|0.00552623|-0.06517170|0.00037635|0.02491832|-0.03396562|0.00046165|-0.00209277|-0.00627048|-0.00000203|0.00276472|-0.00751750|0.00007265|-0.00534140|0.00199912|-0.00008135|-0.02064620|0.02702313|-0.00035719|0.00392713|0.00132446|0.00005144|0.15094279|-0.19279254|0.00259046|-0.20377594|0.72646568|-0.00026144|-0.00039010|0.00867650|-0.00075210|0.00030779|-0.07760148|0.00008195|-0.00010889|0.02786004|-0.00051996|0.00033795|-0.00219843|0.00003876|0.00004868|0.00285942|0.00010014|-0.00022649|0.00336943|-0.00013926|0.00004293|0.00026627|-0.00083913|0.00025469|0.00821066|0.00003701|0.00002880|-0.00005121|-0.00616564|0.00260033|-0.06378590|0.00975059|-0.00474724|0.16007872|0.00038467|-0.00042719|-0.00000324|0.01786076|-0.01277548|0.00031876|0.00025045|-0.00940590|0.00000039|-0.00798799|-0.00313117|-0.00028435|0.00065455|0.00192878|0.00000434|0.00031474|-0.00026074|-0.00001823|-0.00029524|0.00002527|0.00000410|0.00046639|-0.00086652|0.00004346|-0.00022962|-0.00013075|0.00000988|-0.00128170|0.03542900|-0.00017460|-0.13258140|0.05372102|-0.00092544|0.64243054|-0.00039311|0.00079959|-0.00000598|0.00785195|-0.01872860|0.00016876|-0.00083627|-0.00069236|-0.00000257|-0.00158359|0.00082857|0.00001428|0.00058517|0.00033420|0.00000697|0.00072878|-0.00164132|0.00002119|-0.00097421|0.00014718|-0.00001611|-0.00387714|0.00137780|-0.00006937|0.00174576|0.00007231|0.00002226|0.00948201|-0.00096037|0.00014957|0.05792532|-0.24379741|0.00135704|0.03684430|0.58282178|-0.00000341|-0.00000644|0.00070700|0.00025327|-0.00012952|-0.00140668|-0.00002723|-0.00012622|0.00230521|-0.00028930|-0.00000794|0.01239928|0.00000883|0.00002643|-0.00007295|-0.00002132|0.00000617|0.00162513|0.00000696|-0.00000182|-0.00057706|0.00005257|-0.00002439|-0.00238128|0.00000413|-0.00000505|-0.00087203|-0.00008946|0.00052415|0.00300339|-0.00094043|0.00129733|-0.08035580|0.00033327|0.00062162|0.61118045|-0.09036759|-0.08786588|-0.00016473|-0.01336877|-0.04457459|-0.00003577|0.00405185|0.00099891|0.00006628|-0.00002943|-0.00013565|0.00000300|0.00006315|0.00031579|-0.00000019|0.00033296|-0.00044514|0.00000592|-0.00033907|0.00010300|-0.00000446|-0.00079281|0.00077795|-0.00001066|0.00006731|0.00004493|0.00000080|-0.00042622|-0.00158052|-0.00000765|-0.00540276|0.00355924|-0.00011550|-0.00006111|0.00070641|0.00000375|0.09592544|-0.09570292|-0.33023815|-0.00051705|0.00143250|0.00101973|0.00001414|0.00125903|0.00121584|0.00001182|-0.00004490|0.00046032|-0.00000274|-0.00008707|-0.00002360|-0.00000119|0.00017973|-0.00009667|0.00000293|-0.00019736|-0.00000452|-0.00000294|-0.00021599|0.00023042|-0.00000466|-0.00000218|0.00002956|-0.00000009|0.00081682|-0.00020813|0.00001393|0.00031655|0.00062661|0.00000837|0.00001383|-0.00003914|-0.00000119|0.10138287|0.35277368|-0.00013973|-0.00040397|-0.05952250|-0.00018249|-0.00064952|-0.00103227|0.00006542|0.00000809|-0.00076186|0.00000262|-0.00000406|-0.00020132|0.00000116|0.00000463|0.00000301|0.00000404|-0.00000606|0.00001434|-0.00000359|0.00000135|-0.00004760|-0.00000743|0.00000976|-0.00022884|0.00000097|0.00000056|0.00000167|-0.00001529|-0.00002070|0.00044745|-0.00010519|0.00005514|0.00181830|0.00000597|0.00000878|-0.00047763|0.00026775|0.00051250|0.05494762|-0.09129725|0.04243112|-0.08140300|-0.00861049|0.02127381|-0.03505068|-0.00604287|-0.00074947|0.00033188|-0.00014295|0.00203730|0.00358857|-0.00062010|-0.00079258|-0.00027157|-0.00010516|0.00127413|-0.00055347|-0.00008631|-0.00044372|0.00015963|0.00082238|-0.00049020|-0.00013566|0.00009595|-0.00013456|0.00001275|-0.00088563|-0.00014741|0.00036020|0.00060700|-0.00057909|0.00191056|-0.00022762|-0.00010417|-0.00053574|0.00485214|-0.00449311|0.01194254|0.09527899|0.04159966|-0.12123147|0.11171602|0.00248460|-0.00112746|-0.00271105|0.00028371|0.00075283|0.00059295|0.00073973|0.00048345|-0.00025730|-0.00026415|-0.00003584|-0.00004281|0.00003505|0.00038742|0.00002808|-0.00000271|-0.00009289|-0.00000904|0.00030770|-0.00004363|-0.00006391|0.00005868|-0.00004249|-0.00000069|0.00028038|-0.00004565|0.00014922|-0.00018795|-0.00036800|0.00011266|-0.00023705|0.00004347|-0.00010554|0.01309989|-0.01291331|0.02913193|-0.05027939|0.12497552|-0.07993723|0.11082752|-0.24335914|0.00136212|-0.00148906|0.00267044|0.00014212|-0.00062050|-0.00035507|0.00010585|0.00028045|-0.00057278|0.00000166|-0.00014204|0.00011413|-0.00005347|0.00019910|0.00008235|0.00000930|-0.00007753|-0.00003563|0.00011594|-0.00006427|0.00001751|0.00005053|-0.00003605|-0.00000211|-0.00039590|-0.00031223|-0.00003235|-0.00056288|0.00046994|0.00025151|0.00006978|0.00042265|-0.00036696|0.00202940|-0.00082450|0.00240349|0.08755849|-0.12316767|0.26353794|-0.09606693|0.04615314|0.08535032|-0.00957057|0.02144340|0.03456151|-0.00602438|-0.00076939|-0.00049076|-0.00003641|0.00202162|-0.00358612|-0.00062725|-0.00079467|0.00025526|-0.00012246|0.00128286|0.00053958|-0.00008145|-0.00044680|-0.00015818|0.00082109|-0.00049089|0.00016219|0.00009766|-0.00013564|-0.00000911|-0.00088582|-0.00015877|-0.00038402|0.00064542|-0.00057743|-0.00189547|-0.00024119|-0.00008846|0.00053995|0.00525379|-0.00459227|-0.01183390|0.00607848|-0.00771480|-0.01074702|0.10045781|0.04533822|-0.12264762|-0.11121681|0.00239514|-0.00109829|0.00280853|0.00029934|0.00075289|-0.00059164|0.00073149|0.00048352|0.00027149|-0.00026537|-0.00003474|0.00003610|0.00003618|0.00038607|-0.00002886|-0.00000304|-0.00009238|0.00000927|0.00030506|-0.00004282|0.00007324|0.00005831|-0.00004226|0.00000259|0.00028704|-0.00004464|-0.00014096|-0.00018113|-0.00037174|-0.00011417|-0.00024039|0.00004140|0.00009608|0.01392028|-0.01309246|-0.02864463|-0.00807884|0.00957515|0.01487586|-0.05439594|0.12654256|0.08388964|-0.11030458|-0.23717286|-0.00173051|0.00213240|0.00360105|-0.00030763|0.00059149|-0.00037354|-0.00009500|-0.00022899|-0.00067926|-0.00002133|0.00012010|0.00012030|0.00004733|-0.00016408|0.00010090|-0.00001064|0.00006502|-0.00004100|-0.00009470|0.00005052|0.00001795|-0.00004801|0.00003240|-0.00000405|0.00036948|0.00030789|-0.00003303|0.00057531|-0.00048279|0.00021677|-0.00006469|-0.00042798|-0.00035125|-0.00203590|0.00079101|0.00218095|0.01168854|-0.01532300|-0.02480470|-0.09190765|0.12251516|0.25679168|-0.00003663|-0.00010889|-0.00000400|0.00002466|0.00046852|-0.00000797|0.00121650|-0.00216336|0.00010486|0.00374986|0.03335423|-0.00016454|-0.10244030|0.09715129|-0.00120462|0.01419479|-0.01980440|0.00027191|0.00100512|0.00153407|0.00003074|-0.00371432|-0.00471305|-0.00004156|0.00133581|-0.00146409|0.00000819|-0.00661525|0.00020277|-0.00027967|0.00021611|0.00176798|0.00000696|-0.00042184|-0.00020823|0.00001320|-0.00005631|-0.00000149|-0.00000045|0.00000617|0.00001268|0.00000471|0.00000703|0.00001165|-0.00000368|0.09220611|-0.00002130|0.00009322|0.00000025|0.00016982|-0.00053846|0.00000569|0.00002694|0.00076993|-0.00001987|-0.00005125|-0.00100586|0.00002752|0.09712729|-0.36370960|0.00242563|0.01357998|-0.01097941|0.00022772|-0.00144401|0.00094783|-0.00002851|-0.00151756|-0.00200942|-0.00001319|0.00070162|-0.00091867|0.00001601|-0.00045233|-0.00042887|0.00003523|0.00008912|-0.00033715|0.00000031|0.00006780|0.00010864|-0.00000353|0.00000272|-0.00000109|-0.00000004|-0.00003087|-0.00002426|-0.00000774|-0.00003125|-0.00002400|0.00000679|-0.10716761|0.37782011|-0.00000429|-0.00000101|0.00026626|-0.00000723|0.00000929|0.00047587|0.00009770|-0.00005099|-0.00559621|-0.00005795|0.00050716|0.00782861|-0.00120507|0.00242550|-0.04010979|0.00016549|-0.00025024|-0.00041519|0.00004046|0.00001421|-0.00149782|-0.00005358|-0.00006074|0.00030281|0.00000238|-0.00001468|0.00105951|-0.00027703|0.00004553|0.01279129|0.00001270|0.00002427|-0.00066083|0.00001248|-0.00000744|-0.00129616|-0.00000045|-0.00000009|-0.00002487|0.00002618|-0.00003471|-0.00003146|-0.00002486|0.00003503|-0.00003258|0.00129404|-0.00265997|0.02590239|0.00005259|-0.00021066|0.00000220|-0.00027631|0.00070900|0.00000436|0.00098405|-0.00108184|-0.00000320|-0.00045480|0.00059356|-0.00000681|0.00353103|-0.00034408|0.00020723|-0.03172526|0.05560817|-0.00057540|-0.11598033|0.13189066|-0.00157118|-0.00685849|-0.00515368|-0.00029357|0.00128517|-0.00075463|0.00001348|-0.00012203|0.00282053|-0.00005398|-0.00007244|-0.00031818|0.00001183|-0.00002455|0.00002670|-0.00000200|-0.00000385|0.00001622|-0.00000065|0.00009012|0.00001203|0.00001701|0.00009008|0.00001218|-0.00001481|-0.00059312|-0.00101330|-0.00001549|0.15034481|-0.00000649|0.00004246|-0.00000041|0.00010610|0.00039864|-0.00000205|0.00046910|-0.00004328|0.00001148|-0.00043099|-0.00026306|-0.00000557|-0.00217070|0.00291493|-0.00007460|-0.01769274|-0.00244163|-0.00025545|0.20305314|-0.41571841|0.00408207|-0.00055730|0.00240205|0.00003230|0.00115492|-0.00017133|0.00001833|-0.00024908|-0.00074914|0.00000809|-0.00028689|0.00005640|-0.00000691|-0.00003977|0.00000486|-0.00000027|0.00000701|0.00000177|0.00000021|0.00000154|-0.00000995|0.00000314|0.00000175|-0.00001003|-0.00000296|0.00064448|0.00016191|0.00001105|-0.18356116|0.41235797|0.00000156|-0.00000332|-0.00005489|0.00000676|0.00000734|-0.00074854|-0.00000808|-0.00001098|0.00147500|-0.00000430|0.00000843|-0.00012410|0.00021373|-0.00004830|-0.01095536|-0.00034721|0.00078743|-0.00350785|-0.00179359|0.00306943|-0.03457883|-0.00030892|-0.00003248|0.01487431|0.00000690|-0.00000973|0.00050248|-0.00004232|0.00005183|0.00308549|0.00001118|-0.00000725|-0.00084306|-0.00000182|0.00000068|0.00010923|-0.00000063|0.00000034|0.00003860|-0.00001674|0.00000899|0.00001142|0.00001899|-0.00000851|0.00001155|-0.00002070|-0.00001249|0.00072411|0.00228202|-0.00380721|0.03035539|-0.00001610|-0.00002665|0.00001911|0.00018662|0.00045130|-0.00011421|-0.00013449|-0.00040757|-0.00022092|-0.00099114|0.00003996|-0.00034843|0.00017317|0.00026002|0.00025777|0.00231677|0.00056716|-0.00191859|-0.00002811|-0.00114834|0.00001128|-0.01516583|-0.00137914|0.00645963|-0.20134247|-0.05788649|0.22413873|0.00208207|-0.00343601|0.00374728|-0.00069438|-0.00024168|-0.00022883|-0.00014803|-0.00017526|-0.00002024|-0.00002714|-0.00000261|0.00000301|-0.00003529|0.00000305|-0.00001506|-0.00002793|-0.00000508|0.00000861|0.00002480|-0.00002977|0.00012139|-0.00016517|-0.00022438|0.00047578|0.19806059|0.00002397|-0.00006611|-0.00001057|-0.00005093|-0.00022551|-0.00004526|-0.00035687|-0.00055455|-0.00040254|-0.00077334|-0.00051765|-0.00019227|-0.00051551|-0.00045627|-0.00050949|-0.00540468|0.00150312|0.00420135|0.00144306|0.00124391|-0.00036673|-0.04083782|-0.02808013|0.03621263|-0.02071351|-0.04633675|-0.00832416|0.00320813|-0.00314092|0.00278651|-0.00017714|0.00029606|-0.00004678|-0.00006503|-0.00012462|0.00039436|0.00000535|0.00000704|0.00000205|0.00002904|0.00001406|0.00000762|0.00002562|0.00001645|-0.00000319|0.00011665|0.00006536|-0.00029141|0.00041422|0.00050897|-0.00056506|0.05683332|0.07431545|-0.00001519|-0.00001044|0.00001282|0.00007904|0.00016434|-0.00001566|-0.00019901|-0.00009856|-0.00003017|-0.00010414|-0.00024339|-0.00031668|-0.00014298|-0.00030724|-0.00014519|0.00037538|0.00006906|-0.00028566|0.00030445|-0.00088309|-0.00008152|-0.00323294|0.00042463|0.01317984|0.18238334|0.03080572|-0.33851108|0.00021013|-0.00125001|0.00049515|-0.00041486|-0.00006553|-0.00022719|-0.00000286|-0.00001935|0.00001118|-0.00001789|-0.00000622|0.00000264|-0.00002522|0.00000381|-0.00000617|-0.00001988|-0.00000217|-0.00000004|-0.00008031|-0.00007879|0.00009396|-0.00038183|-0.00044845|-0.00018858|-0.20626474|-0.03034988|0.35617641|-0.00001596|-0.00002707|-0.00001975|0.00018526|0.00045588|0.00011699|-0.00014678|-0.00040895|0.00021996|-0.00100476|0.00003558|0.00032831|0.00017601|0.00024984|-0.00025031|0.00227004|0.00058177|0.00198557|-0.00001922|-0.00117295|-0.00000166|-0.01505546|-0.00141478|-0.00725776|-0.18989914|-0.05850159|-0.21951194|0.00219226|-0.00349881|-0.00367205|-0.00071078|-0.00024189|0.00021570|-0.00014860|-0.00017565|0.00001688|-0.00002754|-0.00000280|-0.00000386|-0.00002824|-0.00000519|-0.00000940|-0.00003642|0.00000324|0.00001417|0.00002615|-0.00003271|-0.00012298|-0.00016254|-0.00023996|-0.00047323|0.01609658|0.00674839|0.02759770|0.18646867|0.00002371|-0.00006589|0.00001177|-0.00005300|-0.00022657|0.00004506|-0.00036649|-0.00055135|0.00039539|-0.00078039|-0.00051392|0.00017065|-0.00052686|-0.00045116|0.00049642|-0.00528233|0.00146879|-0.00436443|0.00142865|0.00125222|0.00039827|-0.03977264|-0.02832793|-0.03707331|-0.02216652|-0.04651277|0.00564041|0.00328097|-0.00315700|-0.00266684|-0.00017454|0.00029672|0.00003795|-0.00005358|-0.00012679|-0.00039513|0.00000554|0.00000709|-0.00000191|0.00002562|0.00001647|0.00000383|0.00002939|0.00001398|-0.00000691|0.00010850|0.00006753|0.00029500|0.00040064|0.00051547|0.00057184|0.00649578|0.00122351|0.00226191|0.05733599|0.07476218|0.00001419|0.00001027|0.00001254|-0.00007323|-0.00015041|-0.00001390|0.00019836|0.00009103|-0.00002157|0.00009036|0.00024625|-0.00030688|0.00015578|0.00031649|-0.00015329|-0.00026633|-0.00006529|-0.00021170|-0.00031348|0.00084132|-0.00009834|0.00270868|-0.00017354|0.01332688|-0.17801588|-0.03453965|-0.34978922|-0.00018315|0.00117695|0.00039477|0.00040251|0.00005560|-0.00020941|-0.00000126|0.00001545|0.00001431|0.00001701|0.00000612|0.00000302|0.00001889|0.00000190|0.00000023|0.00002415|-0.00000386|-0.00000496|0.00007755|0.00007798|0.00009020|0.00037986|0.00043699|-0.00019793|-0.02632340|-0.00229259|-0.03022917|0.20104788|0.03397572|0.36733538|0.00000725|0.00012756|0.00022500|-0.00065791|-0.00116284|-0.00035664|-0.00008215|0.00088890|0.00002615|-0.00027704|0.00017764|-0.00105224|0.00003963|0.00023234|-0.00002831|0.00028034|-0.00024876|-0.00014487|-0.00029393|0.00001205|0.00002514|-0.00035762|-0.00018772|0.00002507|-0.00043004|0.00010648|-0.00006217|0.00213476|0.00187959|0.00112769|-0.00971362|0.00471735|0.00876218|-0.15042319|0.02272962|0.12997138|0.00010361|-0.00000075|-0.00002676|0.00005367|0.00001853|-0.00004438|0.00009819|-0.00028071|-0.00011793|-0.00007482|0.00002655|0.00010198|0.00003422|0.00002300|-0.00000232|0.00010048|-0.00008890|-0.00002738|-0.00019664|0.00016474|0.00008728|0.15990127|0.00006016|-0.00021043|-0.00038603|0.00069288|0.00027534|-0.00033268|-0.00105577|-0.00013498|0.00034347|0.00157170|0.00113064|0.00219129|-0.00025806|-0.00049224|0.00002535|-0.00084802|0.00103458|0.00036431|0.00082193|-0.00009516|-0.00006388|0.00263903|-0.00041697|-0.00002200|-0.00042524|-0.00003353|-0.00042953|-0.00507387|-0.00457091|-0.00099235|0.02635783|-0.00654320|-0.02881705|0.02352243|-0.06506031|-0.03538813|-0.00009855|0.00011341|0.00018068|-0.00011377|-0.00002074|-0.00001322|-0.00060454|-0.00031088|0.00022451|0.00013659|-0.00004640|-0.00025797|-0.00002078|0.00000247|-0.00001691|0.00022140|0.00006065|0.00004647|0.00002693|0.00005416|-0.00003312|-0.03076265|0.06872426|0.00019179|0.00008700|-0.00039408|0.00140226|0.00003384|0.00006082|-0.00034815|-0.00045183|0.00002106|0.00006238|0.00006339|-0.00038847|-0.00007946|-0.00007854|0.00001836|-0.00022381|0.00032190|-0.00008841|0.00017794|-0.00005430|0.00004897|0.00053627|-0.00011269|0.00004363|0.00004233|-0.00007009|0.00006268|-0.00167242|0.00039969|-0.00028691|-0.00249890|-0.00114318|0.00667457|0.12965078|-0.03424886|-0.23828672|-0.00018489|0.00010802|0.00013863|0.00007118|-0.00007262|-0.00020334|-0.00018771|-0.00004696|0.00049555|0.00000944|-0.00000500|0.00004980|-0.00001101|-0.00000819|-0.00000722|-0.00003964|0.00000825|-0.00001031|0.00001992|-0.00001889|-0.00000973|-0.14423292|0.03753890|0.25585439|0.00001895|0.00012864|-0.00021391|-0.00062715|-0.00115922|0.00034429|-0.00009139|0.00087527|-0.00003502|-0.00030556|0.00018629|0.00105322|0.00003653|0.00023012|0.00002738|0.00026934|-0.00023840|0.00015658|-0.00028775|0.00001027|-0.00003478|-0.00034080|-0.00019107|-0.00003505|-0.00043010|0.00010467|0.00004757|0.00211710|0.00188298|-0.00107044|-0.00951699|0.00462367|-0.00925600|-0.14301309|0.02092695|-0.12735780|0.00009755|0.00000253|0.00002554|0.00008963|-0.00028132|0.00010802|0.00005422|0.00001675|0.00005171|-0.00007151|0.00002572|-0.00010560|0.00003380|0.00002277|0.00000335|-0.00019352|0.00016357|-0.00009363|0.00009846|-0.00008842|0.00003109|0.01448844|-0.00395788|0.01855133|0.15166546|0.00004782|-0.00020852|0.00038639|0.00067393|0.00027742|0.00035075|-0.00104316|-0.00013422|-0.00037265|0.00163406|0.00111634|-0.00215469|-0.00025682|-0.00049185|-0.00002936|-0.00083556|0.00103033|-0.00039553|0.00081867|-0.00009440|0.00008799|0.00263436|-0.00041612|0.00010277|-0.00043773|-0.00003032|0.00041722|-0.00509089|-0.00456762|0.00087232|0.02552983|-0.00634840|0.02964799|0.02168824|-0.06461824|0.03490545|-0.00009212|0.00011157|-0.00018324|-0.00059672|-0.00031208|-0.00023666|-0.00011453|-0.00002022|0.00000876|0.00012905|-0.00004469|0.00026232|-0.00002116|0.00000263|0.00001632|0.00002584|0.00005464|0.00003336|0.00022281|0.00006018|-0.00004072|-0.00396584|0.00083966|-0.00384842|-0.02877248|0.06824678|-0.00018018|-0.00008453|-0.00040770|-0.00142648|-0.00006878|0.00002834|0.00035166|0.00047828|0.00002958|-0.00007043|-0.00006773|-0.00034567|0.00008162|0.00008849|0.00002110|0.00023949|-0.00033603|-0.00007286|-0.00019288|0.00005551|0.00004200|-0.00056409|0.00011014|0.00002551|-0.00005371|0.00007375|0.00005979|0.00177402|-0.00031801|-0.00027237|0.00186912|0.00136020|0.00628271|-0.12704211|0.03374423|-0.24613929|0.00018430|-0.00010781|0.00014655|0.00017980|0.00004402|0.00050532|-0.00006300|0.00007198|-0.00020445|-0.00001376|0.00000635|0.00004477|0.00001233|0.00000879|-0.00000698|-0.00002540|0.00002318|-0.00001333|0.00004133|-0.00001122|-0.00000795|-0.01736500|0.00356401|-0.02577923|0.14141243|-0.03717119|0.26456816|-0.00027884|-0.00000717|0.00000361|-0.00186218|0.00277907|-0.00004630|0.00043022|0.00119467|0.00000182|0.00048874|-0.00023287|0.00001038|-0.00004320|-0.00019195|0.00000004|-0.00019226|0.00024293|-0.00000247|0.00010315|-0.00010401|0.00000216|-0.00011375|0.00009664|0.00000108|-0.00099066|0.00014811|-0.00000682|0.00094370|-0.00070837|0.00000704|0.01501747|0.01333786|0.00018306|-0.22527695|-0.15113689|-0.00191728|0.00015481|-0.00007664|0.00000030|0.00010737|0.00003689|0.00019040|0.00011704|0.00003561|-0.00019230|0.00001097|-0.00002559|-0.00000028|-0.00000700|-0.00002436|-0.00000039|-0.00007148|-0.00002760|0.00007284|-0.00006136|-0.00003476|-0.00007686|-0.01473492|-0.01283175|-0.00123670|-0.01409162|-0.01217761|0.00085094|0.24035076|0.00038852|0.00007200|0.00000368|0.00492254|-0.00304352|0.00008314|-0.00052623|-0.00241794|0.00000026|-0.00109340|0.00005000|-0.00001659|0.00032409|0.00041764|0.00000340|-0.00012858|-0.00041120|-0.00000083|0.00031183|0.00028551|0.00000343|0.00206504|-0.00092000|0.00003300|-0.00131290|0.00012138|-0.00002117|-0.00211885|0.00195776|-0.00003529|-0.02789198|-0.02385401|-0.00032786|-0.14560710|-0.19079065|-0.00167644|-0.00013744|0.00002003|-0.00000156|-0.00003865|0.00001941|-0.00009864|-0.00004241|0.00002005|0.00009843|-0.00000732|0.00003334|-0.00000011|-0.00002443|0.00003630|-0.00000038|0.00006514|0.00019328|-0.00004619|0.00006191|0.00019507|0.00004711|0.00559382|0.00570057|0.00159856|0.00548860|0.00554714|-0.00146362|0.15970779|0.20676786|0.00000237|-0.00000203|-0.00052867|-0.00005314|0.00005211|0.00073089|0.00000736|0.00002503|0.00003953|0.00001306|-0.00000410|-0.00017587|-0.00000159|-0.00000410|-0.00000563|-0.00000126|0.00000462|-0.00007209|0.00000084|-0.00000248|-0.00002408|-0.00000502|0.00000353|-0.00023219|-0.00000238|-0.00000006|-0.00054114|0.00001130|-0.00001439|0.00062152|0.00031480|0.00026628|-0.00063160|-0.00193460|-0.00175581|-0.05877137|0.00000050|-0.00000069|0.00015061|0.00014287|-0.00000125|0.00017535|-0.00014428|0.00000326|0.00016502|-0.00000032|-0.00000036|0.00003533|-0.00000038|-0.00000038|0.00002573|0.00027687|-0.00023600|0.00008874|-0.00028148|0.00023443|0.00007674|0.02310905|0.02227388|0.00198599|-0.02361028|-0.02265919|0.00149602|0.00215572|0.00181769|0.05539116| 162.09055 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 35.8763 112.3241 129.8527 157.2603 169.6214 226.0117 237.8336 267.5922 304.7052 335.9640 339.4692 452.7861 489.1653 521.5468 617.4865 696.8449 701.8919 733.5543 759.4464 778.7621 797.3809 871.3974 914.2185 981.3034 1034.0646 1100.7043 1116.4667 1147.9432 1148.0534 1176.8777 1187.8503 1236.9548 1301.9323 1316.9097 1406.1275 1433.4815 1478.9279 1489.3069 1563.2182 1569.4826 1605.7847 1619.3675 1623.0336 1636.4269 1641.0086 1729.6582 1856.1563 1870.5382 1907.6561 1942.3463 3193.3231 3207.4675 3236.0269 3258.8505 3304.4984 3324.7628 3433.7067 3722.1457 3771.7634 3805.8709 4.2693 3.7360 1.3129 1.4947 1.3249 3.3359 3.3817 2.6643 1.1302 3.8510 5.0975 4.0937 4.1686 5.4448 4.2870 3.3543 3.8109 4.6534 6.7195 5.9202 6.5148 4.3005 1.2343 1.3696 2.0241 1.7723 2.0180 4.1139 1.5007 1.5364 1.8169 2.9210 2.4011 2.6816 3.4714 2.5046 1.1365 3.0594 1.5597 1.3167 1.2756 1.0460 3.2623 1.0440 1.0707 6.6565 3.1527 2.0185 3.7371 7.0458 1.0409 1.0399 1.1023 1.1005 1.0982 1.1011 1.0995 1.0484 1.0767 1.0969 0.0032 0.0278 0.0130 0.0218 0.0225 0.1004 0.1127 0.1124 0.0618 0.2561 0.3461 0.4945 0.5877 0.8726 0.9631 0.9597 1.1062 1.4753 2.2834 2.1154 2.4405 1.9240 0.6078 0.7771 1.2752 1.2651 1.4821 3.1940 1.1654 1.2538 1.5104 2.6332 2.3979 2.7400 4.0440 3.0323 1.4646 3.9981 2.2455 1.9109 1.9379 1.6162 5.0633 1.6472 1.6988 11.7333 6.3997 4.1612 8.0128 15.6615 6.2538 6.3032 6.8008 6.8858 7.0654 7.1715 7.6380 8.5577 9.0243 9.3608 5.0990 0.0026 0.0021 0.3262 1.9916 4.8914 20.3199 3.0799 28.2638 10.1565 9.3434 9.8204 3.8990 2.8649 10.1366 12.8617 4.1488 11.0474 0.0064 5.5272 0.0989 74.1795 2.1865 131.7808 42.7493 41.3896 81.6297 11.4896 0.6233 2.9716 15.2309 29.5935 141.4258 76.8605 108.1652 0.1001 2.9429 84.5983 55.4858 13.5579 20.8247 4.7093 30.1250 11.6318 1.9976 96.0954 139.8163 11.5442 781.7633 6.7355 47.6473 23.3297 31.2428 21.8977 9.8346 12.2971 0.5743 4.9731 11.0386 7.7322 0.8831 0.7544 0.0468 0.7937 0.3596 1.1830 2.0526 0.1073 3.3195 3.8525 0.7380 0.3942 1.0400 18.2460 15.7061 0.4277 1.2746 16.1492 4.7452 2.8617 14.6400 4.5965 6.7537 6.8526 4.2381 6.5420 31.6640 12.3453 0.7159 2.8758 8.9489 8.6669 5.8863 1.2925 52.7430 19.7143 3.7928 8.5667 6.0011 14.1890 62.9791 25.3381 47.5889 13.3757 34.4980 134.5759 142.2973 70.5681 76.7708 616.5914 140.4430 252.6535 91.7477 114.5232 46.0179 90.8706 102.8714 106.9189 183.5000 65.1496 0.7500 0.7500 0.7500 0.7500 0.7500 0.5745 0.7500 0.0803 0.7500 0.7489 0.7500 0.1170 0.7500 0.3135 0.2620 0.7500 0.2286 0.6317 0.7500 0.1850 0.7500 0.2835 0.7500 0.7500 0.4611 0.2970 0.5145 0.4472 0.7498 0.7500 0.3886 0.7492 0.2816 0.1751 0.7493 0.2398 0.7500 0.7047 0.7333 0.6432 0.4361 0.7500 0.3006 0.7500 0.6847 0.1883 0.3096 0.3372 0.4188 0.2981 0.0924 0.0486 0.7500 0.7500 0.7318 0.6735 0.3362 0.1048 0.3400 0.7500 0.8571 0.8571 0.8571 0.8571 0.8571 0.7298 0.8571 0.1487 0.8571 0.8564 0.8571 0.2095 0.8571 0.4774 0.4153 0.8571 0.3721 0.7743 0.8571 0.3122 0.8571 0.4418 0.8571 0.8571 0.6312 0.4579 0.6794 0.6180 0.8570 0.8571 0.5597 0.8566 0.4395 0.2981 0.8567 0.3868 0.8571 0.8268 0.8461 0.7829 0.6073 0.8571 0.4623 0.8571 0.8129 0.3170 0.4728 0.5043 0.5903 0.4592 0.1692 0.0926 0.8571 0.8571 0.8451 0.8049 0.5032 0.1897 0.5074 0.8571
298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 6 6 7 6 6 6 7 7 7 6 6 6 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
941.82324 2415.32907 3325.75138 0.99986 0.01678 0.00000 -0.01678 0.99986 0.00000 -0.00000 -0.00000 1.00000 1 0.09196 0.03586 0.02604 1.91622 0.74720 0.54266 51.62 161.61 186.83 226.26 244.05 325.18 342.19 385.01 438.40 483.38 488.42 651.46 703.80 750.39 888.43 1002.60 1009.87 1055.42 1092.67 1120.46 1147.25 1253.75 1315.36 1411.88 1487.79 1583.67 1606.35 1651.63 1651.79 1693.26 1709.05 1779.70 1873.19 1894.74 2023.10 2062.46 2127.85 2142.78 2249.12 2258.14 2310.37 2329.91 2335.18 2354.45 2361.05 2488.59 2670.59 2691.29 2744.69 2794.60 4594.48 4614.83 4655.92 4688.76 4754.44 4783.59 4940.34 5355.34 5426.73 5475.80 0.191437 0.202247 0.203191 0.154505 -526.292823 -526.282013 -526.281069 -526.329754 1.632903D-04
MUNgauss RevisionA2.1 retrievium 04-Jan-2023 GDB_13 Smiles: CC1=NC2=CC(=N)N(N)C2=C1C RHF 6-31G(d) (6D,10F) C1 162.090546 |X|Y|Z| 24.173734 37.437197 8.248063
19.543380 8 6 7 6 2
|36.858105| |12.751808|36.858105| |7.843067|14.810191|53.358707| |5.357742|9.039189|18.648929|36.858105| |3.917089|5.550416|10.153347|14.363889|36.858105| |3.364543|4.570445|7.086485|8.396989|12.749942|36.858105| |2.755609|3.515193|5.309750|5.446044|7.580853|15.206104|53.358707| |3.806659|5.341026|7.381789|8.347187|8.203286|13.591210|11.203946|53.358707| |3.235710|4.168487|5.444739|5.250882|5.196093|7.715559|9.113717|18.767263|53.358707| |5.230250|8.624068|11.051493|12.962317|8.328510|8.438989|7.538693|19.025476|10.626958|36.858105| |7.253746|12.711024|10.983613|8.398510|5.556809|5.305001|5.442862|10.088837|7.919746|14.284447|36.858105| |5.978393|7.132640|6.867348|5.075537|3.935534|4.028637|4.490877|7.492946|7.189163|7.366594|12.704648|36.858105| |17.629722|8.969979|10.204890|4.911350|3.739247|3.114358|3.521440|4.572147|3.875419|4.405942|5.423670|4.487459|0.500000| |17.537940|8.940198|8.256857|4.598535|3.500253|3.109751|3.524126|4.839460|4.243207|4.718641|6.533898|6.058725|0.299290|0.500000| |17.537938|8.940203|8.256885|4.598540|3.500244|3.109734|3.524086|4.839495|4.243136|4.718655|6.533918|6.058737|0.299290|0.302608|0.500000| |3.464197|4.566455|8.425344|8.767797|17.779098|8.400390|8.864846|7.755267|5.584969|5.704086|4.321732|3.252061|0.095488|0.086390|0.086389|0.500000| |2.581187|3.229371|5.016562|4.956519|7.244707|10.187774|25.864827|8.177919|6.753420|4.621627|3.492904|2.892076|0.068685|0.067162|0.067161|0.199678|0.500000| |2.922301|3.667637|4.878261|4.608034|4.753757|7.032688|9.247387|13.314239|25.873062|6.195190|4.828514|4.471076|0.072498|0.079704|0.077269|0.107921|0.140221|0.500000| |2.922147|3.667397|4.877910|4.607647|4.753352|7.032058|9.246664|13.314302|25.873144|6.194726|4.828233|4.470968|0.072494|0.077267|0.079699|0.107913|0.140210|0.328061|0.500000| |5.970458|6.350026|6.221606|4.408932|3.494659|3.515531|4.007898|6.186920|5.995055|5.800023|8.850703|17.526274|0.124808|0.161169|0.190467|0.082257|0.072846|0.103907|0.110070|0.500000| |5.970511|6.350065|6.221615|4.408933|3.494669|3.515553|4.007952|6.186836|5.995237|5.799999|8.850701|17.526275|0.124809|0.190468|0.161170|0.082257|0.072847|0.110076|0.103909|0.302267|0.500000| |4.492385|5.379601|5.777729|4.591143|3.788586|4.154655|4.743869|8.093848|8.814003|6.904757|8.945414|17.609354|0.100171|0.126212|0.126212|0.086869|0.083093|0.148588|0.148589|0.301638|0.301638|0.500000|
525.920047 -2594.515868 931.217195 -71.675839 -1209.054464 682.570205 -526.484259 2.001073 4040000000000002 41B3BF8B9D000002 414D64885ACA6B2D 408FA7FFFFFFFFFE C022000000000000 413B485B00000000