Version2.5 2022-04-08T20:41:25Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 21-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C1C2CN1C1C=CC3=CC=CC213 RHF 6-31G(d) (6D,7F) C1C2CN1C1C=CC3=CC=CC213 C1[X(C11H11N)] 63 C1 202 C1C2CN1C1C=CC3=CC=CC213 C1=CC23C(=C1)C=CC3N1CC2C1 C1C2CN1C3C=CC4=CC=CC234 InChIKey=SVOGMANSFXZBSX-UHFFFAOYSA-N InChI=1S/C11H11N/c1-2-8-3-4-10-11(8,5-1)9-6-12(10)7-9/h1-5,9-10H,6-7H2 InChI=1/C11H11N/c1-2-8-3-4-10-11(8,5-1)9-6-12(10)7-9/h1-5,9-10H,6-7H2 C1C2CN1C1C=CC3=CC=CC213 C01[X(C11H11N1)] 63 C1 202 C1C2CN1C1C=CC3=CC=CC213 C1C[C@@H]2[C@@]3(C1)[C@@H]1C[N@]([C@H]3CC2)C1 C1C[C@H]2CC[C@@H]3N4CC(C4)[C@]23C1 InChIKey=FPDNKAWBUCTIBX-LSJOCFKGSA-N InChI=1S/C11H17N/c1-2-8-3-4-10-11(8,5-1)9-6-12(10)7-9/h8-10H,1-7H2/t8-,10-,11-/m0/s1 InChI=1/C11H17N/c1-2-8-3-4-10-11(8,5-1)9-6-12(10)7-9/h8-10H,1-7H2/t8-,10-,11-/m0/s1 4.770359620366D+02 -2.508891630747D+03 698.1475896276 -477.2620156 1-A 1527.9338 42 160 202 |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| -15.55068 -11.25872 -11.25070 -11.24257 -11.23802 -11.23548 -11.23466 -11.22919 -11.22684 -11.22576 -11.22225 -11.22008 -1.29189 -1.16619 -1.08826 -0.99548 -0.98610 -0.93823 -0.91681 -0.85424 -0.78325 -0.75681 -0.73701 -0.70452 -0.67816 -0.66377 -0.64084 -0.61256 -0.58941 -0.55141 -0.54159 -0.51837 -0.51423 -0.50586 -0.49373 -0.47224 -0.46191 -0.44670 -0.41682 -0.38615 -0.35439 -0.27987 |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|A|A|A| 0.10940 0.19470 0.24448 0.25696 0.27360 0.28053 0.28611 0.29661 0.30440 0.30948 0.32079 0.32679 0.33391 0.34130 0.35560 0.37631 0.38239 0.39867 0.40707 0.41095 0.44007 0.46487 0.47974 0.49336 0.50178 0.57084 0.59407 0.65221 0.66196 0.72705 0.74094 0.75722 0.76156 0.77373 0.79552 0.81146 0.81550 0.83243 0.84586 0.86612 0.86856 0.88306 0.89019 0.89872 0.90335 0.92431 0.95026 0.96935 0.97764 0.99238 1.00969 1.02178 1.03566 1.06713 1.07598 1.10339 1.10653 1.11383 1.13063 1.13738 1.13967 1.14889 1.15782 1.17099 1.17406 1.18541 1.18961 1.20408 1.22568 1.25753 1.27998 1.29490 1.31363 1.32389 1.34340 1.40512 1.45100 1.46842 1.49454 1.49947 1.55733 1.58581 1.65235 1.66653 1.68578 1.71654 1.75924 1.77566 1.78949 1.85915 1.87944 1.88826 1.97231 2.00529 2.03436 2.05998 2.06895 2.07978 2.11788 2.13729 2.14042 2.18577 2.21587 2.24224 2.29900 2.30406 2.31393 2.33421 2.33930 2.36940 2.39952 2.42318 2.44061 2.46673 2.47506 2.50258 2.52938 2.56739 2.59338 2.59810 2.61791 2.63810 2.66427 2.70307 2.72122 2.75921 2.78936 2.80378 2.82308 2.83496 2.87388 2.92465 2.95077 2.97378 2.98633 3.00149 3.02446 3.05300 3.10016 3.14187 3.15391 3.20260 3.25470 3.26617 3.31151 3.33994 3.44780 3.55815 4.53072 4.58576 4.60033 4.66281 4.73573 4.79380 4.82551 4.88154 4.95880 5.04248 5.12428 5.30903

10.59249 0.9387 -0.4665 0.6501 1.2335 |XX|YY|ZZ|XY|XZ|YZ| -72.4470 -65.0189 -71.2942 2.5950 -1.7256 1.2821

|XX|YY|ZZ|XY|XZ|YZ| -2.8603 4.5678 -1.7075 2.5950 -1.7256 1.2821

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 25.7391 5.6431 -1.9300 -1.2676 -7.7890 12.3192 -8.3010 -0.8893 -1.6140 3.1594

0 |0.59217712|-0.09884721|0.59903774|-0.15400084|-0.09616328|0.62891274|-0.11050346|0.02816585|-0.03828644|0.54168368|0.04223964|-0.07418245|0.03441972|0.10412753|0.52975632|-0.03846593|0.01469462|-0.13210842|0.10079622|0.15472579|0.63031949|0.00887521|-0.00395797|-0.00340456|-0.13937866|-0.05953041|0.03450202|0.59133475|-0.01674520|-0.06676691|0.07904466|-0.05604552|-0.14453576|0.01526390|-0.10320079|0.72356335|0.00496494|0.04798554|-0.04136597|0.01605356|-0.00437063|-0.06471046|-0.12458746|-0.08789219|0.53777826|-0.09608474|-0.00847209|0.01289119|-0.04411611|-0.04359364|-0.05768731|-0.09100507|0.01442497|0.00044658|0.44862325|-0.06800602|-0.16354610|-0.03827774|-0.03662767|-0.03591087|-0.03867393|0.03178897|-0.08676518|0.01360351|0.01362118|0.42236566|0.01576425|-0.00709469|-0.08700783|-0.04787155|-0.04080037|-0.06454774|-0.05840464|-0.01667707|-0.17167604|0.01569022|0.06577461|0.45872739|-0.00396861|0.01410488|0.00059077|0.01480409|-0.00485134|-0.00332117|-0.00549403|0.00050704|0.01482062|-0.16232552|0.04617515|0.05697142|0.43701442|0.04077119|-0.04053313|-0.02814691|-0.00340836|-0.01614478|-0.02501872|-0.00681984|0.00611026|-0.00034082|0.00276638|-0.10221862|0.00041278|-0.04722300|0.57055248|0.00021392|-0.00466217|0.00096792|-0.00909271|-0.02501166|-0.03680260|0.03981080|-0.02201101|-0.03641688|0.00873414|-0.00072726|-0.10635105|-0.00239928|-0.05060427|0.72966673|-0.00838506|0.00176283|0.00276242|-0.00321210|-0.00071438|-0.00098944|-0.00012237|0.00202969|0.00236618|-0.00352448|0.04018039|-0.00493228|-0.09721429|0.01007692|-0.00702261|0.73078508|0.00085409|-0.00007774|-0.00029554|-0.00036213|0.00090710|-0.00008850|0.00124571|-0.00207066|-0.00245255|0.01086768|-0.01134685|-0.00106985|0.00333408|-0.22219135|0.01771425|0.06951515|0.64565856|0.00327246|-0.00156243|-0.00157221|-0.00028151|-0.00030035|-0.00029198|0.00178325|-0.00324623|-0.00077514|-0.00131994|-0.01173402|0.00371111|-0.01030021|0.03516386|-0.10368933|0.37564478|0.00489597|0.45644573|0.00036507|0.00048706|0.00083951|0.00051909|0.00088422|-0.00048586|-0.00078695|0.00065802|0.00039927|0.00071599|-0.00214351|-0.00028057|-0.00288120|0.01383117|-0.01032600|-0.40458680|0.06814422|-0.25443972|0.65639742|0.00240886|0.00032194|-0.00037889|0.00014522|-0.00055520|0.00022006|0.00100845|-0.00025810|0.00063214|-0.00091768|-0.00522230|0.00041929|0.02938414|-0.00954966|0.02462511|0.06070179|-0.14989127|0.05032081|-0.08954924|0.76243635|-0.00133610|0.00014540|0.00058505|-0.00017630|0.00185967|-0.00175064|0.00247274|-0.00079987|-0.00320687|0.00311154|0.00134858|-0.00099249|-0.01251410|0.00858098|-0.00361166|-0.25579218|0.05448740|-0.25939894|0.34208710|-0.13249272|0.41027628|-0.00296216|0.00098197|0.00063833|-0.01269141|0.01326936|-0.00570560|0.00228272|0.00051340|-0.00266502|-0.00202008|0.00147933|-0.00140631|-0.02863561|0.00459923|-0.01166623|-0.03928722|-0.03560669|-0.02587848|-0.13246649|-0.05277884|-0.03119613|0.88689112|0.00042801|-0.00128643|-0.00077471|0.00720054|-0.00945225|0.00083512|0.00038992|0.00334408|0.00035566|-0.00534599|-0.00241445|-0.00131958|0.00458567|0.01207660|-0.00193740|-0.02675218|0.00283510|-0.01205477|-0.06790606|-0.24615141|-0.03061704|0.17507662|0.64409699|0.00582247|-0.00430860|-0.00564582|0.00738756|-0.01662991|0.01983295|-0.00204021|0.00058563|0.00148263|-0.00366858|-0.00296008|-0.00024576|-0.01541052|0.01510652|-0.01949050|-0.02700493|-0.01766004|-0.00264477|-0.02032827|-0.00913580|-0.07178230|0.10119803|-0.03713250|0.23223610|-0.00087892|0.00020671|0.00109310|0.00167251|-0.00139086|-0.00357881|0.00000167|0.00025190|0.00052290|-0.00137204|0.00089128|0.00018853|0.00106638|0.00450328|-0.00224609|0.00816229|-0.00056032|0.00425358|-0.01763083|-0.01053104|-0.00127925|-0.53669695|-0.09804355|-0.02327871|0.96389716|0.00078650|-0.00075244|0.00021459|0.00132730|-0.00519442|0.00174006|-0.00162708|0.00048506|0.00108221|0.00068543|0.00128454|0.00046008|0.00258539|-0.00319264|0.00263309|0.00232217|-0.00584822|0.00246706|-0.04068720|-0.00176217|-0.00066999|-0.10170318|-0.15238484|-0.00497591|-0.04871633|0.60945476|-0.00083651|0.00021890|0.00057195|0.00170946|0.00461604|-0.00197296|0.00074503|-0.00139841|-0.00093379|0.00040675|0.00110757|0.00036150|-0.00130056|-0.00257380|0.00070631|-0.00006199|-0.00285438|0.00207200|-0.00454066|-0.00420145|0.00059028|-0.01335615|0.01094144|-0.06385887|0.07835186|-0.12997912|0.19273822|0.00089411|-0.00068225|0.00074109|-0.00002835|-0.00677456|-0.00113072|-0.00108846|0.00201788|0.00123213|-0.00268035|-0.00053326|-0.00038667|0.00299600|0.00192176|0.00494465|-0.00035131|0.00039456|-0.00006610|-0.00750605|-0.00163595|0.00294892|-0.00209573|-0.03702970|-0.00124121|-0.11988505|-0.01327290|0.00735730|0.97024770|0.00128254|-0.00086137|-0.00058321|-0.00204470|-0.00105714|0.00345331|-0.00080965|0.00031358|-0.00042765|-0.00067605|-0.00113210|-0.00025457|-0.00306402|-0.00365221|0.00376825|-0.00344667|-0.00018135|-0.00258570|0.00561834|0.00360863|0.00345750|-0.05543718|-0.03282328|0.01071173|0.00140165|-0.22997188|0.06024153|0.05727661|0.58287576|0.00021274|0.00023664|-0.00065174|0.00212370|-0.00242297|0.00043124|-0.00004337|0.00017211|0.00081343|0.00061330|0.00039564|0.00040828|-0.00032430|0.00277813|-0.00234390|0.00192316|0.00102552|0.00152100|-0.00558772|-0.00267949|0.00893911|0.01421761|0.01414335|0.00540235|0.00180275|0.06527202|-0.08985010|0.11312982|-0.15947726|0.24041924|0.00015621|-0.00233534|-0.00055598|-0.02561990|-0.00990972|0.01441790|-0.00315851|0.00033557|0.00010703|-0.00189726|-0.00133952|0.00013397|-0.01187226|-0.00891160|0.00530869|-0.00172722|-0.00195057|-0.00186537|0.00099056|0.00570451|-0.00343502|-0.01101014|-0.00093021|0.00073977|0.00928786|0.03875797|-0.01548880|-0.50263413|0.11766092|-0.13184660|0.78094425|-0.00116332|0.00208244|-0.00272213|0.00517493|0.01438786|-0.00495860|0.00407737|-0.00327575|-0.00297732|0.00252967|0.00107150|0.00083882|-0.00266243|-0.00683297|-0.00063361|0.00005048|-0.00226806|-0.00017032|0.00358126|-0.00122753|-0.00117268|-0.00528841|-0.04346927|0.03187225|0.02467988|-0.03663754|0.02368712|0.12405345|-0.16272216|0.05541170|-0.14496528|0.71779372|-0.00144299|0.00021421|0.00144418|0.02006490|0.01626041|-0.01240713|0.00269314|-0.00274703|-0.00384263|-0.00666461|-0.00149651|-0.00031053|-0.00292179|-0.01084023|0.01825615|-0.00408855|0.00004250|-0.00254201|-0.00108603|-0.00001721|0.00038659|0.00134331|0.02114716|-0.00800189|-0.00774687|0.02360587|0.00348957|-0.12522720|0.05267454|-0.11724056|0.13097521|-0.23376992|0.27983083|-0.02959578|0.01147679|0.00813889|-0.10933182|0.01855229|0.02711484|-0.02542553|0.00937138|0.01083448|-0.05037427|-0.00398885|-0.00533772|-0.09093717|-0.01715377|-0.01375719|-0.00187681|-0.00939144|-0.00159460|0.01037712|-0.00860875|0.00252601|-0.11465140|0.04080177|-0.01461107|-0.04527706|0.00795306|-0.00529759|-0.05516411|-0.00472043|0.00045716|-0.13497581|-0.04765004|0.00672693|0.63129051|0.03587212|-0.01482536|-0.00667895|0.02503532|-0.09036809|-0.01913380|-0.02021733|0.01005163|0.01083823|-0.00306254|0.00257950|0.00235610|-0.01372038|-0.09284401|0.00134876|-0.02417898|-0.02717429|-0.01603857|0.01063422|-0.03309357|0.00527888|0.05208563|-0.16245831|0.02498922|0.00818791|0.01024033|-0.00428479|-0.00504277|0.00615244|0.00354417|-0.06595589|-0.15698142|0.02201595|0.00506201|0.56911819|-0.01335320|0.00791376|0.01124752|0.03690455|-0.02323762|-0.11045193|0.02339059|-0.00365006|-0.00781438|-0.00319020|0.00333420|0.00393380|-0.02758778|-0.01055586|-0.11046109|0.00171305|-0.00368716|0.00170197|0.00103953|0.00525554|0.00323456|-0.03164578|0.04002339|-0.10697072|-0.00519032|0.00548693|-0.00165391|-0.00353313|-0.01058310|0.00411559|0.02686967|0.03658456|-0.09385774|0.00534275|-0.04029915|0.40798641|-0.10511522|-0.04618524|0.08540129|0.01253205|0.00877239|-0.01472471|-0.00186478|0.00040015|-0.00254397|-0.00406624|-0.00203218|0.00984280|-0.00004780|0.00193477|0.00016858|0.00002773|-0.00013955|-0.00018774|0.00002070|-0.00004643|-0.00005351|0.00013634|-0.00028388|0.00005266|-0.00008560|-0.00000945|0.00004796|0.00009409|0.00008628|-0.00009218|-0.00092817|-0.00002080|-0.00004900|0.00158456|-0.00042322|-0.00093442|0.10420819|-0.04327114|-0.11758972|0.09478187|-0.00023099|-0.00300814|0.00218816|0.00063045|-0.00824806|0.00076985|-0.00944035|-0.01322134|0.02758448|-0.00264061|0.00114193|0.00298647|-0.00003012|0.00032461|-0.00040190|-0.00012179|0.00015050|0.00002044|-0.00013732|0.00020774|-0.00045306|0.00007408|0.00014625|0.00004676|0.00011030|-0.00003644|-0.00011164|-0.00007328|-0.00028959|0.00004181|0.00049133|-0.00008714|0.00119413|0.04920740|0.12798149|0.08651463|0.10348598|-0.25800459|0.01300376|0.00659412|-0.01157252|-0.00282434|0.00397635|-0.00315069|-0.00418055|-0.00269358|0.00966155|0.00029334|-0.00070373|0.00100767|-0.00073293|0.00013624|0.00014779|0.00014760|0.00003227|0.00021250|0.00012033|-0.00040599|0.00075097|-0.00007791|-0.00016303|-0.00005958|-0.00016624|-0.00022370|0.00003771|0.00056003|0.00107368|0.00050522|0.00101335|-0.00108256|-0.00033054|-0.09833899|-0.11573747|0.26876826|-0.24051307|0.12079305|0.08840923|-0.01610588|0.01073921|0.01171245|-0.00063585|-0.00315219|0.00068893|0.01410541|-0.00691455|-0.00498005|-0.00057423|-0.00300121|-0.00056543|0.00131419|-0.00028721|-0.00019617|-0.00034276|-0.00021281|-0.00029723|-0.00008404|-0.00035175|0.00149526|-0.00041286|0.00026910|-0.00006977|-0.00014065|0.00028937|0.00007640|0.00054641|0.00020530|-0.00046591|-0.00251229|0.00352113|-0.00343242|-0.00783551|0.00597687|0.00455764|0.25160812|0.11032760|-0.13124187|-0.04753026|0.00103561|-0.00093555|-0.00138840|0.00220053|-0.00088781|-0.00260973|0.02674348|-0.01805603|-0.01342595|-0.00161348|-0.00761793|0.00237669|0.00255054|0.00001539|-0.00121564|-0.00019992|-0.00092358|0.00021778|0.00002196|-0.00003048|-0.00044728|-0.00000670|0.00012037|0.00014264|-0.00004436|0.00011057|0.00003077|-0.00000890|0.00006375|-0.00019119|-0.00074815|-0.00077702|0.00019030|-0.01277529|0.01159013|0.00542140|-0.12694389|0.14853162|0.08813594|-0.05082034|-0.10428543|-0.01691117|0.01343636|0.01203930|-0.00253628|0.00126747|-0.00008291|0.00836574|-0.00631489|-0.00447329|-0.00179386|-0.00265763|-0.00028869|0.00072295|0.00027793|0.00005265|-0.00021750|-0.00040428|0.00004211|-0.00037395|-0.00005795|0.00177443|-0.00020387|0.00016169|-0.00005511|-0.00012235|0.00022927|0.00014128|0.00053056|0.00024309|-0.00019916|-0.00280201|0.00389814|-0.00335300|0.02274090|-0.01516115|-0.00868419|-0.09570359|0.05664175|0.10637958|-0.00088859|-0.01291221|-0.00375168|-0.10183077|-0.06250209|-0.08207331|-0.00014906|-0.00244660|-0.01627654|-0.00832591|-0.00814392|-0.01039849|-0.00557640|0.00263289|0.00467146|0.00078577|0.00011541|0.00024642|-0.00012148|0.00003131|-0.00009954|0.00097059|-0.00081663|-0.00003101|-0.00016899|0.00048525|-0.00071446|0.00027671|-0.00041980|-0.00008216|0.00121964|0.00097494|0.00068181|0.01157902|0.01176010|0.01727333|-0.00026601|0.00029486|-0.00058492|0.00010132|0.00044828|0.00056538|0.10188227|-0.00099294|0.01167649|0.00741620|-0.06220223|-0.16077930|-0.11964226|0.00360098|-0.00426694|-0.01381202|-0.00178200|0.00335583|-0.00406969|0.00066508|0.00049813|-0.00162000|-0.00002850|0.00020699|0.00009112|-0.00009807|-0.00024040|-0.00007435|-0.00103166|0.00037456|-0.00068696|0.00068051|0.00020586|0.00031432|0.00056345|-0.00011796|0.00061361|-0.00146420|0.00005707|0.00069054|-0.00608106|-0.00628326|-0.00703363|0.00039213|-0.00001788|0.00075912|-0.00065959|-0.00000169|-0.00122642|0.06954255|0.15584254|0.00340309|-0.01122565|-0.00521362|-0.08008187|-0.11876878|-0.22752165|-0.00020031|0.00413232|0.00917560|-0.00234537|-0.00464304|0.00005588|0.00005143|-0.00111294|-0.00123375|-0.00036036|0.00004699|-0.00035834|-0.00003102|-0.00030418|0.00026120|-0.00018653|0.00049300|-0.00080538|0.00071761|-0.00021631|0.00043613|0.00039377|-0.00009205|0.00065090|-0.00121996|-0.00050999|0.00003650|-0.00782708|-0.00552695|-0.00893800|-0.00062196|0.00016178|-0.00098520|-0.00041289|0.00040278|0.00061286|0.08934074|0.13811576|0.23436321|-0.00074077|0.00166446|-0.00256285|-0.02008479|0.01245865|0.01428295|-0.24442019|0.08792522|0.11684901|0.01247542|-0.00434710|-0.00493613|0.00015463|0.00006694|-0.00330763|-0.00016378|0.00009969|-0.00004448|-0.00008998|-0.00025429|0.00017013|0.00075361|-0.00045625|0.00005165|-0.00032460|-0.00039225|0.00027180|-0.00058431|0.00003610|-0.00006911|-0.00035961|0.00137914|0.00115595|-0.00281608|-0.00440054|0.00094616|0.00042497|-0.00058878|-0.00039859|0.00133176|-0.00039141|-0.00008541|0.00025434|-0.00021897|-0.00083567|0.25754984|-0.00297634|0.00007097|0.00224452|-0.01651777|0.01029886|0.01318362|0.08992730|-0.10649844|-0.05092939|0.00198381|-0.00120747|-0.00148182|-0.00132097|-0.00114908|-0.00051032|0.00122127|0.00050783|-0.00049458|-0.00022557|-0.00004017|-0.00070492|0.00013111|-0.00085606|-0.00042107|-0.00002375|-0.00014788|0.00046995|-0.00057307|-0.00012809|-0.00007964|-0.00036046|0.00126788|0.00081011|-0.00299636|-0.00312080|0.00223696|-0.00002328|0.00042090|-0.00034895|-0.00038918|-0.00059864|0.00122305|0.00068291|0.00080436|-0.00091952|-0.09529724|0.10956858|0.00174839|-0.00238112|-0.00146319|-0.00420399|0.00196313|0.00287216|0.10707695|-0.04577163|-0.12068204|0.03052445|-0.01408753|-0.02147207|-0.00161292|0.00367990|-0.00821403|-0.00070262|0.00078321|0.00015285|-0.00024016|-0.00033793|0.00050309|0.00032468|0.00007454|0.00004096|-0.00015082|-0.00014298|0.00010229|-0.00016042|0.00019704|-0.00011528|0.00008792|0.00024374|0.00049940|-0.00154438|-0.00092886|-0.00015992|-0.00053425|0.00009857|0.00032440|-0.00014673|0.00122539|-0.00015465|0.00060159|0.00049232|-0.00009001|-0.12420861|0.05276348|0.13995408|-0.00302727|-0.00333712|0.00075715|0.01299605|-0.02072644|0.00831716|-0.08159683|0.05934367|-0.02431323|-0.00259182|0.00807365|0.00027825|-0.00019503|-0.00004016|0.00114497|-0.00081072|0.00080552|0.00237462|-0.00162427|0.00122188|0.00167230|-0.00031825|0.00004732|-0.00012453|0.00001565|0.00000223|0.00002825|-0.00004633|-0.00003318|0.00009355|0.00018652|0.00010236|-0.00030023|0.00171941|0.00050730|-0.00112767|0.00201027|-0.00021481|0.00160079|0.00036951|-0.00048894|-0.00010793|-0.00048066|-0.00077631|0.00012368|-0.00402332|0.02641298|-0.00946878|0.07728602|-0.00298982|-0.00332627|0.00345283|0.00836281|-0.01203762|0.00500638|0.05912938|-0.31869715|0.09166531|-0.00232888|0.00452530|0.00100668|0.00074637|-0.00065755|0.00033658|0.00325902|-0.00070766|-0.00265468|0.00167146|-0.00050899|-0.00308764|-0.00074506|-0.00043570|0.00034312|0.00012497|0.00011393|0.00014903|-0.00012379|-0.00016908|0.00008585|0.00010130|0.00015831|-0.00023133|0.00069609|0.00051894|-0.00094093|0.00104196|-0.00004871|0.00084308|-0.00007265|0.00033436|-0.00034183|-0.00061835|-0.00099650|0.00034169|0.00305981|-0.00933508|0.00320244|-0.07115848|0.34109791|0.00070158|0.00115510|-0.00698142|0.00349692|-0.00120113|-0.00053360|-0.02138329|0.08048470|-0.09577418|-0.00577927|0.03193977|-0.00626411|-0.00243377|0.00231524|0.00216051|0.00053351|-0.00098131|-0.00166140|0.00127474|-0.00085747|0.00040151|0.00013293|0.00042119|0.00030841|0.00012109|-0.00010479|-0.00024327|0.00019180|-0.00010955|0.00003375|-0.00010109|-0.00028377|0.00026815|0.00062656|0.00051457|0.00008007|0.00044533|0.00296861|0.00072147|-0.00054830|0.00017773|0.00027067|0.00014853|-0.00003219|0.00008128|0.00322041|-0.01670982|0.00892653|0.01932916|-0.09914778|0.09826272|0.00057724|-0.00201159|0.00008253|-0.00263835|-0.00111523|-0.00195020|-0.00743669|0.00377562|0.00135729|-0.00483781|-0.00620317|0.04003845|-0.05461800|-0.00097055|0.00116678|0.00136033|0.00131140|-0.00466435|-0.00009775|0.00025991|-0.00076702|0.00014028|-0.00103221|-0.00117043|-0.00189894|-0.00020310|-0.00006892|-0.00026666|0.00168699|-0.00063768|0.00266652|0.00033087|0.00115570|0.00231237|0.00557547|-0.02221451|0.00049312|0.00031336|-0.00034454|-0.00004857|-0.00014525|-0.00008941|0.00101267|-0.00031850|-0.00034634|0.00076886|0.00028594|0.00244765|0.00004820|-0.00022190|-0.00008087|0.06302490|0.00024766|0.00231250|-0.00134097|-0.00191570|-0.00064985|-0.00199113|0.00217792|-0.00161605|-0.00169220|0.00089777|0.00327999|-0.01213038|-0.00370848|-0.07439317|0.06530789|0.00119705|-0.00418650|0.03729484|-0.00106285|-0.00630965|0.00062864|-0.00035004|-0.00197914|-0.00078855|-0.00087783|0.00024541|0.00035596|-0.00057551|0.00076437|-0.00041591|0.00172218|0.00157702|0.00061158|0.00054512|0.00428336|-0.01672969|0.00008984|-0.00030795|0.00011301|-0.00004236|0.00017681|0.00011464|0.00064605|-0.00032354|-0.00040000|-0.00026616|0.00010604|-0.00088012|0.00015800|0.00001852|-0.00018319|-0.00095775|0.07712035|-0.00027250|0.00175759|-0.00047475|-0.00100138|-0.00027981|-0.00058444|0.00328091|-0.00140522|0.00103690|0.00328766|0.00123445|-0.01249456|0.01068040|0.05926674|-0.33861351|-0.00125675|0.00200742|-0.00092249|0.00026650|0.00059232|0.00019343|0.00026249|-0.00122365|-0.00078028|-0.00114378|-0.00070788|-0.00003541|-0.00092596|0.00158131|-0.00042871|0.00185365|0.00040451|0.00149487|0.00048793|0.00321226|-0.01095429|-0.00030612|-0.00102367|0.00045491|-0.00006686|-0.00031994|0.00042459|0.00042547|-0.00030260|-0.00019736|-0.00023032|-0.00008571|-0.00092644|-0.00009653|0.00007482|0.00008024|-0.01472044|-0.06514112|0.36328413|0.00017563|-0.00006168|-0.00016007|-0.00024600|0.00004382|-0.00020337|-0.00000375|-0.00025458|-0.00005491|0.00056927|-0.00133505|-0.00015467|0.00642566|0.00436839|0.00239281|-0.18189765|-0.13536155|-0.08026736|-0.00624364|-0.02070641|-0.00805234|-0.00061861|-0.00020192|-0.00826719|0.00131616|0.00088957|-0.00045232|0.00081401|-0.00088768|0.00125510|-0.00169868|-0.00073958|0.00099810|0.00205317|0.00267001|-0.00085008|-0.00000378|-0.00001696|0.00005141|-0.00005282|-0.00005057|-0.00000443|-0.00000808|-0.00007888|0.00008707|0.00004049|0.00000317|0.00004473|0.00002213|-0.00007883|0.00004933|0.00013829|-0.00020070|-0.00004138|0.18074248|0.00033415|-0.00015864|-0.00000792|-0.00049387|-0.00002715|0.00002812|0.00008268|-0.00024646|0.00015932|0.00037925|0.00146698|-0.00006806|-0.02073512|-0.01005387|-0.01260984|-0.13828587|-0.22711183|-0.07663812|0.00644148|0.01134695|0.00475642|0.00156558|-0.00063573|0.00242632|-0.00027882|0.00021005|-0.00016124|-0.00059404|-0.00024094|-0.00017873|0.00031301|0.00030230|-0.00173327|0.00036626|-0.00443577|0.00258169|-0.00000569|0.00012636|-0.00005053|0.00010529|-0.00013657|-0.00007741|0.00029267|-0.00008951|-0.00021645|0.00003726|0.00003365|-0.00014019|-0.00010603|0.00004487|-0.00021087|0.00006209|0.00020304|0.00086890|0.15133175|0.22883705|0.00016162|-0.00002158|-0.00000857|0.00037789|0.00034625|0.00053063|0.00007744|-0.00013950|0.00003923|-0.00023538|0.00002758|-0.00002837|0.00682484|0.00647890|0.00740259|-0.07757095|-0.07348274|-0.09277876|-0.01222518|-0.01804049|0.00138877|-0.00802115|0.00401151|0.00566138|-0.00111672|-0.00344446|0.00033669|-0.00126853|0.00134084|-0.00131988|0.00200270|0.00044261|-0.00003417|-0.00281336|0.00147966|-0.00008690|0.00002499|0.00003372|-0.00003351|-0.00001108|0.00002680|0.00002921|-0.00013514|0.00013433|0.00012353|0.00000603|-0.00001927|-0.00000126|-0.00017809|0.00012536|-0.00011646|0.00011832|-0.00138702|-0.00017024|0.09026707|0.08218472|0.08296369|0.00020171|-0.00032982|-0.00027223|0.00019664|-0.00024897|0.00047823|-0.00015831|-0.00018177|0.00010712|0.00023008|-0.00057815|0.00036484|0.00096780|-0.00108817|-0.01008201|0.00126983|0.02687313|-0.00614635|-0.09764624|0.08556663|-0.04140012|0.01299781|-0.01278600|0.00711364|0.00000220|0.00104159|-0.00039908|0.00010457|0.00023811|0.00006206|0.00030918|-0.00058733|0.00057467|-0.00149744|-0.00287808|-0.00213817|-0.00002923|-0.00006754|0.00004607|0.00003728|-0.00006235|0.00015723|0.00000547|0.00002665|0.00003458|0.00001511|0.00006745|0.00006740|-0.00002695|0.00014115|0.00008972|-0.00039668|0.00253868|-0.00004582|-0.00161858|-0.00044226|0.00374727|0.08556456|0.00003615|-0.00011448|-0.00019687|-0.00011241|-0.00001990|0.00041012|-0.00003897|-0.00021457|-0.00001114|0.00030268|0.00030615|-0.00000521|-0.00147930|0.00031220|0.00010165|-0.00149242|0.00316162|-0.00090446|0.08909543|-0.32343455|0.08897557|0.01325086|-0.01379306|0.00825024|-0.00003339|0.00041173|-0.00064742|-0.00014656|-0.00030112|0.00003880|0.00066079|-0.00095567|0.00055447|-0.00309662|-0.00221052|-0.00008622|-0.00003002|0.00003575|-0.00003805|0.00013088|0.00001829|0.00004734|0.00005437|-0.00004234|-0.00003552|0.00007752|0.00004716|-0.00001115|0.00010242|-0.00001130|-0.00003069|0.00016080|-0.00011056|0.00000394|0.00085577|0.00045924|0.00003051|-0.09720709|0.33684353|-0.00105713|0.00024479|0.00039371|-0.00027242|0.00022847|-0.00018799|0.00009614|0.00009458|-0.00059279|0.00013695|0.00312427|-0.00059069|-0.00900735|-0.00091003|0.00771099|-0.00553100|0.02089510|0.00110237|-0.03855820|0.08607095|-0.08242269|0.00356808|-0.00829776|0.00470130|0.00069807|0.00027611|-0.00029098|0.00002639|-0.00032181|-0.00025252|0.00050327|-0.00066883|0.00033347|-0.00239306|-0.00173466|0.00195463|0.00002205|0.00003521|-0.00008826|0.00011697|0.00041251|0.00003223|0.00003617|0.00001214|0.00003384|0.00002215|0.00003083|0.00003703|0.00011598|-0.00012765|-0.00007438|0.00048181|-0.00145343|-0.00018400|0.00365015|-0.00118314|-0.00421882|0.04767637|-0.09668709|0.07237404|-0.00023416|0.00007154|0.00027675|-0.00013926|0.00013879|-0.00077895|0.00017442|0.00016637|-0.00005608|-0.00060394|-0.00007024|-0.00009864|-0.00005909|0.00130534|-0.00008113|-0.00020573|0.00006606|-0.00015791|0.00142796|0.00018713|0.00062257|-0.01541907|0.02459349|-0.00642693|-0.26288812|0.14454344|-0.04287910|0.00965415|-0.00490882|0.00098990|-0.00041733|-0.00241405|0.00113074|-0.00407497|-0.00320036|-0.00019185|0.00002808|0.00000459|-0.00001277|-0.00013830|0.00000462|-0.00008170|-0.00004943|0.00005395|0.00008752|-0.00006485|-0.00002145|0.00001023|-0.00000135|-0.00004333|0.00001336|-0.00018663|-0.00019034|-0.00015051|-0.00001318|-0.00009851|0.00000336|-0.00035328|-0.00069127|-0.00010962|0.27316203|-0.00028696|0.00014807|0.00029644|-0.00024138|0.00065980|-0.00080364|0.00016492|-0.00006302|-0.00001235|0.00017885|0.00004233|-0.00009570|-0.00003850|-0.00014801|-0.00014527|0.00012157|0.00003666|0.00010928|0.00128074|0.00056725|-0.00143470|-0.00798547|0.01418441|-0.00203273|0.14539700|-0.18260239|0.04135770|0.02512718|-0.00560968|0.00094069|-0.00059187|-0.00595312|0.00271097|-0.00307557|-0.00008748|0.00353064|-0.00000147|0.00005342|-0.00008695|-0.00005075|-0.00001139|-0.00011506|-0.00000916|0.00000391|0.00004543|0.00003640|0.00001399|-0.00001246|0.00000322|0.00002567|0.00000327|0.00002024|-0.00000109|-0.00001813|-0.00003414|0.00002527|0.00006890|0.00016078|-0.00003122|0.00014310|-0.16050741|0.17825276|-0.00045620|0.00049618|0.00051292|-0.00113190|0.00097688|-0.00206456|0.00015233|0.00000206|0.00002545|0.00040188|-0.00014654|-0.00022257|0.00035706|-0.00185526|0.00130511|-0.00029480|-0.00037338|-0.00007714|0.00187143|0.00009367|-0.00504990|0.00618889|-0.00087415|0.00476798|-0.04568703|0.03565461|-0.05351125|-0.00815316|0.00305751|0.00003251|0.00097704|0.00191952|0.00100841|-0.00202827|0.00545914|0.01237337|0.00002499|0.00003639|0.00001110|-0.00016440|-0.00009656|-0.00019007|0.00009553|-0.00002525|-0.00007892|-0.00002701|-0.00002660|-0.00003843|-0.00003744|-0.00001196|0.00004135|0.00052570|0.00025293|0.00018001|-0.00018100|0.00008283|0.00012082|-0.00004717|0.00020118|0.00018762|0.04796908|-0.04512986|0.04118043|0.00014593|-0.00016946|0.00014944|0.00011440|-0.00023534|-0.00024720|-0.00009306|0.00007359|-0.00005319|-0.00074945|-0.00007656|0.00002518|0.00006147|-0.00017818|0.00142617|-0.00029937|0.00000960|-0.00017036|0.00030230|-0.00006421|0.00011908|-0.00014525|0.00146897|-0.00097862|0.00634220|0.00335902|-0.00066608|-0.29652108|-0.13827296|0.01214263|-0.01503676|-0.02038540|0.00471063|-0.00384138|0.00054350|-0.00429486|0.00004358|-0.00000294|-0.00001004|-0.00007057|0.00001783|0.00000120|-0.00007353|0.00008193|0.00010004|-0.00007168|-0.00001866|0.00001825|0.00001257|-0.00001611|0.00000765|-0.00000735|0.00000770|-0.00005636|0.00005423|-0.00015403|-0.00000354|-0.00003199|-0.00006889|-0.00000501|-0.00017847|-0.00107873|0.00029323|0.30935098|-0.00014182|0.00006726|0.00002845|-0.00069525|-0.00067657|-0.00007206|-0.00007328|0.00013992|0.00019175|0.00045256|0.00021302|0.00003114|0.00007100|0.00043905|-0.00113858|0.00004923|-0.00053620|-0.00005156|-0.00095397|0.00103793|0.00026532|-0.00077972|-0.00670628|0.00198447|-0.02518590|-0.00361205|-0.00088810|-0.14025440|-0.15462903|0.01952878|0.01103748|0.01348719|-0.00076861|0.00235668|0.00153287|0.00594033|-0.00002725|0.00000809|-0.00003342|-0.00002308|0.00003057|-0.00001496|0.00003893|-0.00002357|-0.00000035|-0.00007806|-0.00001794|-0.00002529|0.00002452|0.00001047|-0.00004554|-0.00012455|0.00000602|-0.00004649|-0.00011210|0.00017474|-0.00016175|-0.00000374|-0.00009657|-0.00002518|0.00103008|0.00032161|-0.00008667|0.15403836|0.14926705|0.00031352|-0.00002133|0.00007151|-0.00175200|-0.00256382|0.00058152|-0.00061562|0.00069772|0.00066614|0.00054246|-0.00018715|-0.00005219|0.00008482|0.00073204|-0.00110735|0.00041124|0.00046483|0.00006681|0.00089966|-0.00025348|0.00036363|-0.00025384|0.00345097|0.00109520|0.01115741|0.00235966|0.00203824|0.01412124|0.01919359|-0.05240943|-0.01019108|-0.00709601|0.00782243|-0.00182171|0.00767421|0.00982772|-0.00003865|-0.00000480|-0.00005595|-0.00002571|-0.00002617|-0.00001775|0.00005155|-0.00002688|-0.00005276|-0.00025842|-0.00022509|-0.00008189|-0.00001823|-0.00004010|0.00001554|-0.00004024|-0.00012675|-0.00003089|0.00000477|0.00011889|0.00016341|-0.00000448|0.00002962|0.00000563|-0.00041155|-0.00024655|-0.00045021|-0.01339967|-0.02192800|0.03695662|-0.00067040|-0.00041318|0.00022296|0.00140836|0.00036710|-0.00027920|0.00014933|0.00023217|-0.00019962|-0.00014431|0.00012980|-0.00011020|0.00090880|0.00001658|0.00056335|-0.00004032|0.00002317|0.00000555|0.00090826|-0.00131418|0.00066845|-0.00507004|-0.00265597|0.00072116|-0.00424411|0.00160348|-0.00278642|0.00391123|0.02914423|-0.01041675|-0.08497137|0.05873700|-0.02221788|0.01143575|-0.01837463|0.00620477|-0.00136136|-0.00026659|-0.00023711|0.00005337|0.00012875|-0.00018647|-0.00014888|0.00012567|0.00012985|-0.00002508|0.00002817|0.00002143|0.00007648|0.00006287|-0.00005602|-0.00010936|-0.00008026|-0.00023032|0.00005327|-0.00011720|-0.00003243|-0.00014354|-0.00033074|-0.00021676|0.00058054|0.00141050|-0.00064876|0.00069226|-0.00064570|0.00124450|0.07675112|-0.00016775|-0.00045446|0.00119809|0.00032287|-0.00047489|0.00002180|-0.00014924|0.00040300|0.00024449|-0.00021449|0.00055050|-0.00039104|0.00089882|0.00004833|0.00041266|-0.00010899|-0.00006185|-0.00028960|0.00062055|-0.00030099|0.00103133|-0.00113147|-0.00224277|0.00136302|-0.00075067|-0.00081182|0.00333976|-0.00418205|-0.00019151|0.00114785|0.06250312|-0.33163597|0.11041518|0.00983826|-0.00973022|0.00253101|0.00007884|0.00066779|-0.00086729|0.00007101|0.00022669|-0.00034881|-0.00013174|0.00015718|0.00023202|-0.00015016|-0.00004056|-0.00000448|0.00007640|0.00008331|-0.00008206|-0.00047891|-0.00021594|-0.00045004|-0.00004184|-0.00009403|-0.00003486|-0.00019289|-0.00025983|-0.00015849|-0.00001961|0.00017223|0.00039332|0.00112097|-0.00043757|-0.00197539|-0.06781103|0.34464338|-0.00000815|-0.00028750|0.00007606|-0.00085529|0.00016021|0.00090132|-0.00004125|0.00001672|0.00000713|-0.00008164|0.00005212|-0.00013020|0.00025291|0.00080512|-0.00055965|0.00026412|0.00016812|-0.00026177|-0.00047844|0.00084124|0.00083738|0.00436049|-0.00120183|0.00217161|-0.00720672|-0.00100950|0.00902204|-0.00270542|0.01475217|0.00166574|-0.02036351|0.10224158|-0.07693996|-0.00144084|0.00309899|-0.00142323|-0.00034607|-0.00005454|0.00036147|0.00002966|-0.00001541|-0.00001468|0.00000928|-0.00008720|-0.00035595|-0.00001202|-0.00000580|-0.00001357|-0.00006321|-0.00004926|-0.00000340|-0.00027926|-0.00001902|-0.00035171|-0.00011143|0.00006855|0.00003699|0.00001622|0.00001038|0.00003626|0.00033325|0.00092698|-0.00006402|0.00089140|-0.00268365|-0.00541601|0.02783591|-0.11772848|0.07041818| 157.08915 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 61 62 63 |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| 156.8833 227.2379 258.0738 311.7014 404.0295 503.6968 516.8276 552.5123 616.7524 635.7899 683.8132 712.7472 777.7212 822.0809 858.8368 888.7748 901.1891 919.5352 949.4462 967.3119 978.5595 1002.3014 1049.4354 1061.1873 1083.2579 1091.7340 1101.0890 1108.9002 1119.0299 1142.9085 1152.6008 1193.3382 1219.2947 1229.7867 1248.4101 1258.1652 1315.9058 1336.9070 1351.9466 1370.3982 1376.0011 1424.9944 1437.5501 1451.8178 1464.5930 1503.7066 1512.3955 1662.7274 1699.2785 1740.5369 1788.5235 1837.2637 3248.0175 3266.7477 3272.4405 3299.8024 3306.1930 3343.3272 3377.5674 3378.7383 3392.8496 3402.7798 3407.0383 3.7055 3.5950 3.2340 3.3131 3.9409 2.7775 2.9496 2.8300 2.8524 3.2157 3.5614 3.2659 3.8668 1.3654 1.8795 2.3499 4.0830 2.1083 2.6631 2.9675 1.7330 4.2496 1.8832 1.9729 1.6403 1.9389 2.0192 2.0033 2.4058 1.7011 1.9816 2.3238 1.3102 1.3758 1.4451 1.8613 2.0689 1.7188 1.6211 1.4392 1.3236 1.8118 1.6585 2.0939 1.4862 1.8051 1.8842 1.0926 1.1151 6.8119 5.8472 6.9352 1.0594 1.0705 1.0853 1.0987 1.1019 1.1016 1.0874 1.0875 1.0957 1.1044 1.1045 0.0537 0.1094 0.1269 0.1897 0.3790 0.4152 0.4642 0.5090 0.6393 0.7659 0.9812 0.9775 1.3780 0.5437 0.8168 1.0936 1.9537 1.0503 1.4144 1.6359 0.9777 2.5153 1.2219 1.3090 1.1340 1.3616 1.4423 1.4514 1.7750 1.3092 1.5510 1.9497 1.1477 1.2259 1.3269 1.7360 2.1107 1.8100 1.7458 1.5925 1.4766 2.1676 2.0194 2.6003 1.8783 2.4048 2.5393 1.7798 1.8971 12.1587 11.0201 13.7928 6.5848 6.7306 6.8476 7.0489 7.0963 7.2548 7.3087 7.3148 7.4317 7.5344 7.5540 0.2947 1.7406 1.4931 4.0337 0.2544 0.2416 9.5426 0.9624 0.2746 5.5164 2.2891 17.5298 3.9484 19.2579 31.8058 23.1762 2.0690 0.6698 15.3717 25.3584 37.0196 10.8812 3.6094 13.2932 4.6558 6.1505 8.5198 1.7716 3.7512 4.2715 5.5082 7.8743 5.4635 2.1296 7.3675 1.9588 5.0112 6.5778 9.9084 3.3918 0.6187 1.5153 11.3193 0.6021 6.1114 13.7397 2.7024 1.3848 2.3764 8.5297 1.6458 4.5099 48.1855 46.2632 31.8935 19.0636 74.6136 21.1549 6.1932 4.3795 25.5234 29.9597 21.9067 7.7470 3.6496 3.4163 0.8954 11.9397 1.7125 3.6852 2.0890 2.8646 0.9195 8.0921 2.2075 6.7683 2.5246 8.2154 4.3260 2.3471 8.6725 3.9529 3.0032 8.6302 3.8162 7.7329 4.7168 5.0595 8.6216 6.0049 3.9225 7.8607 1.2967 6.3433 18.5558 2.4532 23.2236 3.6238 6.9649 8.9723 4.0673 7.5131 4.3181 1.7388 3.4803 2.5898 1.7048 2.8550 7.8009 11.0762 11.3222 6.8810 75.5433 38.8486 151.6849 53.2694 101.8629 133.2561 83.6409 143.0261 45.7651 108.8331 69.8291 80.2230 143.2839 236.1328 0.7489 0.7358 0.6746 0.7418 0.3548 0.5956 0.7442 0.4151 0.2403 0.7500 0.0529 0.6202 0.5225 0.5615 0.5192 0.5110 0.4680 0.3948 0.7154 0.2565 0.6768 0.4372 0.6305 0.3903 0.5678 0.6815 0.4686 0.2547 0.5099 0.3616 0.6495 0.1595 0.7485 0.7039 0.1929 0.3003 0.6559 0.7192 0.7461 0.7262 0.7445 0.5297 0.7144 0.5023 0.7066 0.7493 0.7301 0.7458 0.6441 0.1775 0.1116 0.2631 0.2233 0.4505 0.1729 0.4708 0.2864 0.6614 0.7495 0.7304 0.6588 0.1883 0.1070 0.8564 0.8478 0.8057 0.8518 0.5238 0.7466 0.8533 0.5867 0.3875 0.8571 0.1005 0.7656 0.6863 0.7191 0.6835 0.6764 0.6376 0.5661 0.8341 0.4083 0.8073 0.6084 0.7734 0.5614 0.7243 0.8106 0.6382 0.4060 0.6754 0.5311 0.7875 0.2751 0.8562 0.8262 0.3234 0.4619 0.7922 0.8367 0.8546 0.8414 0.8535 0.6925 0.8334 0.6687 0.8281 0.8567 0.8440 0.8544 0.7835 0.3014 0.2008 0.4166 0.3651 0.6211 0.2948 0.6402 0.4452 0.7962 0.8568 0.8442 0.7943 0.3169 0.1933

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 23 6 6 6 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783

1004.37177 1624.17515 2172.09377 0.99989 0.01308 -0.00719 -0.01299 0.99984 0.01250 0.00735 -0.01240 0.99990 1 0.08624 0.05333 0.03988 1.79689 1.11117 0.83088 225.72 326.94 371.31 448.47 581.31 724.71 743.60 794.94 887.37 914.76 983.85 1025.48 1118.97 1182.79 1235.67 1278.75 1296.61 1323.01 1366.04 1391.75 1407.93 1442.09 1509.90 1526.81 1558.57 1570.76 1584.22 1595.46 1610.03 1644.39 1658.34 1716.95 1754.29 1769.39 1796.18 1810.22 1893.30 1923.51 1945.15 1971.70 1979.76 2050.25 2068.31 2088.84 2107.22 2163.50 2176.00 2392.29 2444.88 2504.24 2573.29 2643.41 4673.17 4700.12 4708.31 4747.68 4756.87 4810.30 4859.57 4861.25 4881.55 4895.84 4901.97 0.208851 0.216094 0.217038 0.176753 -477.053165 -477.045922 -477.044978 -477.085263 1.351166D-04 MUNgauss RevisionA2.1 retrievium 08-Apr-2022 GDB_13 Smiles: C1C2CN1C1C=CC3=CC=CC213 RHF 6-31G(d) (6D,10F) C1 157.089149 |X|Y|Z| 28.847572 22.397464 13.932081

20.802141 12 6 7 11 1

|36.858105| |12.285382|36.858105| |9.428084|12.432955|36.858105| |12.760744|9.224451|12.737639|53.358707| |8.377299|8.233840|8.253640|17.490586|36.858105| |5.253423|5.822318|6.728292|10.379823|12.565319|36.858105| |4.482931|5.586906|5.880138|7.614036|8.021417|14.343473|36.858105| |5.054844|7.106472|5.989522|7.490726|7.887109|8.340311|12.991736|36.858105| |4.091657|5.395281|4.371785|5.600292|5.409309|5.441626|7.399113|14.289309|36.858105| |4.437315|5.594064|4.119918|5.525778|5.165951|4.518662|5.210481|8.389469|12.915116|36.858105| |6.218337|7.648913|5.031808|7.153707|6.829375|5.099212|5.310688|8.147541|8.282202|14.294291|36.858105| |8.105358|12.245364|7.796525|10.798553|12.072168|7.842575|7.854567|12.618495|8.134284|8.207459|12.599928|36.858105| |17.582162|8.324410|6.294949|11.871886|7.617449|4.755993|4.084662|4.682416|3.997443|4.603890|6.777377|7.420206|0.500000| |17.607601|8.565758|7.931312|12.155452|5.840339|4.217550|3.688906|4.029947|3.391958|3.645492|4.748011|5.665909|0.298711|0.500000| |8.158775|17.615944|8.235047|8.343320|5.686789|4.527834|4.650402|6.074765|5.163942|5.543828|6.953775|8.415072|0.178616|0.195205|0.500000| |8.039153|8.686868|17.602714|12.239542|5.809445|4.974672|4.460068|4.519579|3.567389|3.448170|4.106558|5.560350|0.153348|0.236486|0.197776|0.500000| |6.279648|8.366814|17.672618|11.787024|7.339168|7.647889|7.104385|6.421793|4.518874|3.953126|4.509512|6.885521|0.133435|0.152197|0.180328|0.300008|0.500000| |7.126269|6.100463|5.821025|12.315961|17.600082|8.757797|6.102053|6.067634|4.734033|4.810018|6.363594|8.434089|0.214123|0.145170|0.128322|0.127671|0.145020|0.500000| |4.452758|4.595645|5.593005|8.846129|8.389791|17.722665|8.907373|5.728914|4.221747|3.619395|4.005076|5.507195|0.113333|0.104595|0.103312|0.124306|0.177568|0.197369|0.500000| |3.604252|4.358415|4.673080|5.933828|5.584763|8.902303|17.730861|8.439599|6.225014|4.366309|4.214617|5.514117|0.092260|0.085910|0.106641|0.105077|0.159467|0.128977|0.205363|0.500000| |3.334551|4.187741|3.619384|4.637173|4.299491|4.603277|6.294343|8.833156|17.736079|8.415685|5.756638|5.628338|0.090781|0.079346|0.113791|0.084766|0.106467|0.107963|0.104721|0.167635|0.500000| |3.691556|4.401213|3.381412|4.550396|4.041895|3.621603|4.089053|5.785804|8.424155|17.729610|8.875579|5.663459|0.108165|0.087639|0.126003|0.081587|0.090333|0.108416|0.084080|0.100244|0.196444|0.500000| |6.372149|6.725981|4.512238|6.649393|5.732810|4.214538|4.174735|5.634266|5.704345|8.891361|17.736080|8.304302|0.215759|0.139203|0.177452|0.107501|0.108807|0.159251|0.096596|0.095538|0.122732|0.204631|0.500000| 477.035901 -2508.891479 924.209801 -67.763876 -1175.409654 698.147640 -477.262014 2.000474 40877FFFFFFFFFFB 41A47E0B1FFFFFFD 413F39F89249248E 411AD66000000001 404FFFFFFFFFFFFF 41D8958958FFFFFD