Version2.5 2022-04-09T11:49:03Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 22-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C1C2CN1CC13CC(C=C1)C=C23 RHF 6-31G(d) (6D,7F) C1C2CN1CC13CC(C=C1)C=C23 C1[X(C11H13N)] 69 C1 206 C1C2CN1CC13CC(C=C1)C=C23 C1=CC23CC1C=C3C1CN(C2)C1 C1C2CN1CC34CC(C=C3)C=C24 InChIKey=VVFSUGVQQZYSLO-UHFFFAOYSA-N InChI=1S/C11H13N/c1-2-11-4-8(1)3-10(11)9-5-12(6-9)7-11/h1-3,8-9H,4-7H2 InChI=1/C11H13N/c1-2-11-4-8(1)3-10(11)9-5-12(6-9)7-11/h1-3,8-9H,4-7H2 C1C2CN1CC13CC(C=C1)C=C23 C01[X(C11H13N1)] 69 C1 206 C1C2CN1CC13CC(C=C1)C=C23 C1C[C@]23C[C@@H]1C[C@@H]3[C@H]1C[N@@](C2)C1 C1C[C@@]23C[C@@H]1C[C@@H]2C4CN(C4)C3 InChIKey=CEDBQBLKUCPGLF-GDPRMGEGSA-N InChI=1S/C11H17N/c1-2-11-4-8(1)3-10(11)9-5-12(6-9)7-11/h8-10H,1-7H2/t8-,10+,11-/m0/s1 InChI=1/C11H17N/c1-2-11-4-8(1)3-10(11)9-5-12(6-9)7-11/h8-10H,1-7H2/t8-,10+,11-/m0/s1 4.782259553430D+02 -2.567308323287D+03 726.0139106905 -478.4360191 1-A 1602.1317 43 163 206 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.54300 -11.24699 -11.24649 -11.24292 -11.23421 -11.23306 -11.23235 -11.22182 -11.22121 -11.21721 -11.21518 -11.21022 -1.26669 -1.18355 -1.04882 -1.00924 -0.97533 -0.93769 -0.91802 -0.85597 -0.78883 -0.77003 -0.73290 -0.69287 -0.68022 -0.64617 -0.63085 -0.61232 -0.60438 -0.55903 -0.55658 -0.53057 -0.52433 -0.51115 -0.49900 -0.49006 -0.47747 -0.46019 -0.44378 -0.43030 -0.35747 -0.33953 -0.31079 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.15459 0.21922 0.23894 0.26209 0.26693 0.27804 0.28534 0.29528 0.30335 0.31113 0.32206 0.32252 0.33535 0.33693 0.34196 0.36093 0.36616 0.39144 0.40341 0.40827 0.41739 0.44219 0.45539 0.45666 0.48276 0.50972 0.54006 0.56644 0.58264 0.61409 0.68770 0.71992 0.73993 0.74910 0.76199 0.77132 0.81031 0.82969 0.83762 0.84250 0.86987 0.88262 0.89281 0.90324 0.91206 0.92706 0.93455 0.94102 0.95850 0.96283 0.99526 1.01247 1.02513 1.05628 1.06912 1.09230 1.10482 1.10852 1.11527 1.12577 1.13355 1.13686 1.14702 1.14997 1.15764 1.16623 1.19557 1.20538 1.21042 1.22448 1.24385 1.25596 1.25975 1.28888 1.29481 1.33356 1.37707 1.41080 1.44045 1.51515 1.52565 1.55342 1.58319 1.61215 1.64447 1.68015 1.71660 1.73184 1.76448 1.82387 1.87430 1.88080 1.92729 1.96499 1.97298 1.98904 2.01210 2.04232 2.07356 2.10542 2.12196 2.13569 2.15494 2.19117 2.20808 2.22801 2.27959 2.29429 2.31531 2.32117 2.35704 2.36121 2.42587 2.44151 2.47043 2.47617 2.49457 2.50391 2.52887 2.54996 2.56081 2.57115 2.59728 2.60445 2.62853 2.64833 2.69152 2.72819 2.74329 2.76365 2.80786 2.83217 2.85321 2.86983 2.89624 2.89883 2.91220 2.95991 2.97508 2.99148 3.01762 3.06272 3.10012 3.10705 3.18393 3.22386 3.25634 3.29234 3.31894 3.41494 3.50449 4.58755 4.64711 4.71381 4.73284 4.79031 4.81082 4.84395 4.92157 5.01127 5.08375 5.15914 5.25709 12.66353 0.8601 0.9895 -0.2265 1.3305 |XX|YY|ZZ|XY|XZ|YZ| -73.4838 -71.2526 -70.3511 -3.2540 0.9604 0.8862 |XX|YY|ZZ|XY|XZ|YZ| -1.7879 0.4433 1.3447 -3.2540 0.9604 0.8862 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 14.6042 3.1873 2.2159 1.6258 18.7148 -6.2817 -4.1756 -4.4194 -3.6042 -0.2453 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1327.8027 -478.7152 -360.4810 -29.5415 -0.4455 4.9937 -2.4584 -1.7122 5.0453 -320.0817 -272.0164 -140.5475 6.2114 1.1940 -3.5908 0 |0.67587394|-0.07917063|0.44244240|-0.05423556|-0.03791032|0.70263810|-0.11904744|-0.01054033|-0.03902350|0.56292840|-0.00537204|-0.07693264|-0.03391208|-0.03322248|0.74051165|-0.04378458|-0.05670658|-0.14033108|-0.03355655|0.10301508|0.43858206|0.01333437|-0.00229735|-0.02010056|-0.10483276|-0.01761444|0.03423550|0.69025451|-0.00317712|-0.00780939|0.04424299|-0.01798247|-0.14390326|0.06582805|-0.10498859|0.47743245|-0.00919084|0.02147024|-0.10086532|0.02833776|0.03986265|-0.08981986|-0.00231705|-0.09105931|0.65333463|-0.09181489|0.03040147|0.00707508|0.01154807|-0.04041862|-0.01469177|-0.10224118|0.01504559|-0.00118158|0.41312039|-0.01606800|-0.18541534|0.02765860|-0.01324488|-0.10360049|-0.02659270|0.00452761|-0.11110474|-0.03295889|-0.09236071|0.54401808|0.04192456|0.06771363|-0.10223174|-0.00668667|-0.02485991|-0.01950568|-0.05355818|-0.08203884|-0.16098290|-0.02585567|0.04570332|0.43503547|-0.00839665|0.00742387|-0.00444271|0.00088180|-0.00400316|-0.00143111|-0.00014630|-0.00042625|0.00843997|-0.18997902|0.08634420|0.03372671|0.48278277|0.03547125|-0.02720130|-0.00604364|-0.00087500|-0.00108374|0.00028084|0.01288903|-0.01122339|-0.01096024|0.03338323|-0.11581028|-0.00175547|-0.01432821|0.65156018|-0.02322056|0.00930984|0.00803265|-0.00028454|0.00053499|-0.00148559|0.04035679|-0.02196985|-0.01456708|0.01841349|-0.01034398|-0.11680529|0.01524752|-0.03124637|0.70833689|0.00083248|-0.00063050|0.00034451|-0.00527300|0.03087233|0.00798052|0.00020626|0.00027898|0.00022523|-0.04000676|-0.01195402|-0.00186886|-0.15762492|-0.04517620|-0.01556702|0.62414658|0.00082446|0.00247373|-0.00050493|0.00554906|-0.00474096|-0.00365122|0.00050705|0.00164950|0.00106271|0.01701503|0.01072189|0.00227123|-0.05179783|-0.13745148|-0.01115689|0.08659318|0.52356474|0.00011020|0.00042351|0.00000248|0.00403001|-0.00506478|0.00353669|0.00228229|-0.00008888|0.00190180|0.01188971|0.00290312|0.00516343|-0.02140038|-0.01534526|-0.11074901|0.02461537|0.00783763|0.45670185|-0.00035118|0.00027952|0.00069749|0.00052165|0.00128025|0.00020534|0.00024429|-0.00051773|-0.00097031|-0.00268331|-0.00152983|0.00003398|-0.01220100|-0.00035338|0.01351737|-0.11934484|-0.00763120|0.05029591|0.50070441|0.00043075|0.00026307|-0.00055853|-0.00060673|-0.00445052|-0.00023466|-0.00089418|-0.00082598|-0.00016810|-0.00189589|-0.00051945|0.00042920|-0.00838672|-0.00231253|0.01424401|-0.01416557|-0.07739405|0.01112484|-0.14296475|0.62953512|-0.00001253|-0.00081053|0.00159191|-0.00038695|-0.00068621|-0.00011436|-0.00033129|-0.00042044|-0.00092554|-0.00526626|-0.00056954|-0.00032284|-0.00501925|0.00240235|0.01415818|0.03979706|0.00394767|-0.12949908|0.03016995|-0.00933805|0.66295213|0.00023447|-0.00041422|0.00009496|-0.00030506|-0.00330867|0.00196874|-0.00101041|-0.00000160|-0.00022420|-0.00170534|-0.00035897|-0.00010117|-0.00234980|0.00048182|0.00542459|-0.05131167|-0.02388707|-0.00627185|-0.10381740|-0.02929109|-0.02140398|0.69380341|-0.00095535|0.00019748|0.00087088|-0.00293461|-0.00412847|-0.00448023|0.00014700|0.00048542|-0.00026776|0.00002787|0.00007622|-0.00014408|-0.00095626|-0.00059849|0.00203048|-0.01856484|-0.03099147|0.00092983|-0.03545584|-0.10982344|-0.03169085|0.12961979|0.50824260|0.00216706|-0.00066923|-0.00061743|0.00180718|-0.00255813|0.01007517|-0.00196217|0.00103526|0.00131708|0.00117136|0.00029627|-0.00059014|0.00156924|-0.00035014|-0.00490291|0.00722800|0.00818342|-0.00681014|-0.03460018|-0.03964633|-0.11750721|-0.09348786|-0.06301641|0.45872757|0.00024183|-0.00021693|0.00013642|0.00029397|0.00054738|0.00122412|-0.00009239|0.00039670|-0.00014048|-0.00119384|-0.00041374|-0.00007582|-0.00022468|0.00300858|-0.00392488|-0.03911012|-0.00104574|-0.02339164|-0.01147119|0.00539869|-0.01468750|-0.10240495|-0.00218075|-0.00893595|0.89537418|-0.00046929|0.00022924|-0.00016924|-0.00060991|0.00059541|-0.00035553|-0.00014696|0.00019858|-0.00046167|0.00008968|0.00007689|0.00000952|0.00001369|-0.00075815|0.00238916|-0.00209847|0.01448503|-0.00811760|0.00207963|0.00929896|-0.00536753|-0.00198179|-0.11658394|0.05781102|0.24663033|0.44043729|0.00033155|-0.00059428|-0.00014081|0.00010295|0.00126658|-0.00030033|0.00032440|-0.00032636|-0.00073333|-0.00096777|0.00001211|0.00025023|-0.00094341|0.00287711|-0.00444571|-0.02310468|-0.01423928|0.00450253|-0.02302434|0.01349201|-0.04230322|-0.01030097|0.04503485|-0.14167945|0.19579156|-0.13218279|0.45965262|0.00022463|-0.00078664|0.00006185|0.00098769|-0.00097682|-0.00087487|-0.00005988|-0.00055629|0.00071856|-0.00179756|-0.00100622|-0.00028286|-0.01457825|0.00675706|-0.01887889|-0.11998406|0.00267765|-0.04246739|0.00876567|-0.00365074|0.00484593|0.00885002|-0.01937965|0.01718755|-0.47716437|-0.25046406|0.01555169|0.71555722|-0.00046461|-0.00100783|0.00017565|-0.00070118|-0.00093117|-0.00024856|0.00057844|0.00013271|-0.00099976|-0.00288314|-0.00004231|0.00011820|-0.00936492|0.00835758|-0.01888957|0.00865419|-0.09824353|0.02976165|-0.00393022|-0.00734774|0.00745897|-0.01856399|-0.02719022|0.02279848|-0.24155840|-0.24075171|0.03848007|0.30883304|0.58788625|-0.00094377|0.00043496|-0.00043509|-0.00078399|-0.00250033|-0.00208014|-0.00005976|0.00013336|0.00013159|0.00198941|0.00072803|-0.00038448|-0.00365736|-0.00271808|-0.00174854|-0.03479584|0.02301067|-0.13041828|-0.00720512|0.02628452|-0.04518778|0.02501632|0.01984227|-0.00481643|0.01419630|0.03801021|-0.11350143|-0.01434036|-0.27533978|0.48580733|-0.00022588|0.00270669|0.00318855|-0.01835066|-0.02277999|0.00030804|-0.00256430|0.00420446|-0.00025065|0.00083667|0.00025024|-0.00002368|-0.00117679|0.00105295|0.00108025|0.01458548|-0.02197543|-0.00153900|0.00372411|0.00411057|0.00416398|-0.13675581|0.03419800|0.02921716|-0.00255047|0.03086852|-0.01315381|-0.01641016|-0.00159660|-0.00467799|0.72296028|0.00225511|0.00036894|0.00005426|0.00719938|0.01317661|0.00006813|0.00282712|-0.00057610|-0.00008222|-0.00015063|0.00099058|0.00034209|0.00514823|-0.00546069|-0.00150035|-0.02285562|-0.04053543|-0.00364385|0.00885741|-0.03594716|-0.01282836|0.03029903|-0.13029216|-0.01653187|0.01181693|-0.02422347|0.00407451|0.00027217|-0.00496692|0.00004204|0.23129616|0.85064778|0.00147135|-0.00132772|-0.00161999|0.00512538|0.00505363|0.00961570|0.00014691|-0.00003626|-0.00032782|-0.00010574|0.00006082|0.00051701|0.00095654|-0.00140758|0.00000000|-0.00761009|0.00011724|0.00527644|0.01589652|-0.02960350|-0.01291992|0.01784011|-0.01153774|-0.08017776|-0.01622420|0.02023300|0.01188160|-0.00012995|0.00425827|0.00148047|-0.05443833|0.08440066|0.19750953|-0.03375209|-0.00652121|-0.00515592|-0.24863133|0.03432050|0.03197306|-0.02209383|-0.00939477|0.00569925|0.00347084|0.00325355|0.00118208|0.01076061|-0.03006631|-0.00720874|-0.10225798|0.01395054|0.00123363|-0.01899367|0.01831929|0.00942502|-0.05332256|0.00723802|0.01120036|-0.00719625|-0.00368446|0.00171984|-0.00522095|0.01479788|0.00377075|-0.47709562|-0.22534147|0.03429874|0.96020519|-0.00953051|0.00523965|0.00282568|0.03488239|-0.11904337|-0.01351653|-0.03083691|0.00746262|0.00552405|0.00652517|0.00091369|-0.00018036|-0.00458015|-0.01975213|-0.00505448|0.00795710|-0.14726529|-0.02289418|0.01884733|-0.00907935|-0.01191657|0.00719443|0.02355739|-0.00134866|-0.00563624|-0.01368079|0.00528892|0.03322565|-0.01989607|0.01435089|-0.23769946|-0.26928986|0.00228860|0.17807928|0.58715114|-0.03710603|0.00675304|0.00658312|0.03290317|-0.01215977|-0.08592705|0.03239346|-0.00149351|-0.00575554|0.00160092|0.00040067|0.00018402|0.00108420|-0.00619577|-0.00109715|0.00148253|-0.01291119|-0.08475416|0.02168281|-0.03092048|-0.01420991|0.00857809|0.00480507|0.00166643|-0.00252880|0.00364555|0.00049873|-0.01230456|0.02604139|0.01011249|0.03560675|0.00365975|-0.07908875|-0.09282161|0.02858660|0.25299708|-0.11462536|-0.00586350|0.11046040|0.00917376|0.00239294|-0.01533733|-0.00130384|-0.00033358|-0.00334428|0.00014351|0.00084832|-0.00304901|0.00090652|0.00139457|-0.00048865|0.00017212|-0.00017108|-0.00018698|-0.00024714|0.00023053|-0.00007360|-0.00001589|-0.00001167|0.00005735|0.00008886|0.00002975|-0.00001314|-0.00002208|-0.00001240|-0.00002733|0.00012538|-0.00015960|0.00007080|0.00172519|-0.00015037|-0.00044280|0.11502898|-0.00226731|-0.06892706|0.00488188|0.01151172|0.00265671|-0.01177540|-0.00072352|-0.00477153|0.00007493|-0.01522156|0.00139747|0.03165301|-0.00165349|0.00365983|0.00136365|0.00023152|-0.00011010|-0.00017325|0.00016718|0.00013361|0.00022694|0.00000102|-0.00001225|-0.00012239|-0.00001366|-0.00000210|-0.00000498|0.00003145|-0.00000160|0.00000014|-0.00023062|-0.00020514|0.00030629|0.00235205|0.00097623|0.00104540|0.00264227|0.06042625|0.10715795|0.01199115|-0.29672505|0.00978535|0.00289767|-0.01440748|-0.00383260|0.00246166|-0.00486748|0.00260207|0.00078713|-0.01020978|0.00158465|-0.00167298|-0.00033843|-0.00087735|0.00040510|-0.00010680|-0.00019359|0.00049501|-0.00049509|-0.00006750|-0.00036250|-0.00009813|0.00007089|0.00018719|0.00008796|-0.00012769|-0.00004049|0.00005528|-0.00088021|0.00003132|0.00075154|0.00269173|-0.00058998|0.00100869|-0.11781372|-0.01646487|0.32194202|-0.32562707|0.08181826|-0.00528970|-0.01635703|0.00490983|0.00206352|0.00006161|-0.00070970|0.00147128|0.00700166|0.00432488|-0.00041857|0.00127138|-0.00091383|-0.00041665|0.00069881|-0.00024241|0.00026289|-0.00013884|-0.00019829|-0.00007739|0.00006573|-0.00006983|0.00030679|-0.00010254|-0.00009051|0.00014394|0.00006368|0.00001201|-0.00003619|-0.00016525|0.00044497|0.00006275|-0.00127610|-0.00244264|-0.00420508|-0.01190107|0.00384073|0.00009596|0.34527148|0.07492256|-0.07624358|0.00088745|-0.02070594|0.00801324|0.00082356|0.00086398|-0.00131510|-0.00018502|0.03706400|-0.01781710|-0.00004334|-0.00049272|-0.00425761|0.00673376|-0.00023035|-0.00070106|-0.00019632|-0.00009073|0.00005586|0.00017647|0.00012000|-0.00015325|0.00028942|0.00000294|-0.00006816|0.00018287|0.00010662|0.00026449|-0.00003083|-0.00058720|0.00030662|0.00045001|-0.00161335|-0.00154773|-0.00453484|-0.00139508|0.00285824|-0.00074740|-0.09038735|0.09023395|-0.00235561|0.00044956|-0.06798939|-0.02481436|0.00819826|0.00156304|-0.00099002|-0.00017596|0.00153996|-0.01135517|0.00834965|0.00143201|-0.00023266|-0.00007511|-0.00252942|-0.00031834|0.00027334|0.00030412|-0.00028286|0.00022683|-0.00029968|0.00005260|-0.00043285|0.00053452|0.00006955|0.00000708|0.00009447|-0.00000749|-0.00002844|-0.00007700|-0.00082625|0.00040160|0.00073011|-0.00071153|-0.00161756|-0.00494725|0.03267500|-0.01041755|0.00399137|0.00753374|-0.00518374|0.06361106|0.00718159|-0.01428399|0.00118088|-0.07421909|0.05278616|0.01792841|0.00324506|-0.00762232|-0.00804058|-0.00224116|-0.01041687|-0.00266339|-0.00211737|-0.00046563|0.00004383|-0.00534316|-0.00133788|0.00074862|-0.00045886|0.00126081|0.00023292|0.00022023|0.00063361|-0.00005330|-0.00034056|-0.00010742|-0.00012134|0.00036524|0.00024588|0.00070107|0.00220720|-0.00096189|-0.00094908|-0.00214842|0.03794866|0.01045099|-0.00030836|-0.00046371|-0.00064898|0.00058140|0.00095244|0.00079898|0.07345901|0.00200649|-0.00400846|0.00192068|0.05387304|-0.31228537|-0.08036649|0.00830896|-0.00965466|-0.01055552|-0.00526549|-0.00859288|-0.00360526|-0.00133063|0.00115200|0.00048259|-0.00006422|0.00145851|-0.00045359|0.00002020|-0.00015229|0.00018994|0.00040920|-0.00009471|0.00010800|0.00013228|0.00004742|-0.00005168|-0.00018584|0.00028039|-0.00010105|0.00025101|0.00079471|0.00023787|0.00079195|-0.00237527|-0.00032105|-0.00026125|-0.00016074|-0.00017642|-0.00074828|0.00027290|-0.00038378|-0.05774714|0.33336741|0.01358534|-0.01760612|-0.00076085|0.01839584|-0.08017410|-0.09554215|-0.01053808|0.01191152|0.00925094|-0.00099888|-0.00284759|0.00344483|-0.00017269|0.00016632|0.00035872|0.00052214|0.00040240|0.00145067|0.00001279|0.00037761|0.00008614|0.00010242|-0.00011755|-0.00020706|0.00003038|0.00009826|0.00003925|0.00003381|-0.00036387|-0.00032649|-0.00012567|0.00050858|-0.00015182|-0.00037098|-0.00501276|-0.00111359|-0.00086215|-0.00135386|-0.00156271|0.00005502|0.00137403|0.00157276|-0.02007178|0.09270581|0.08303871|0.00007045|0.00000477|-0.00147757|-0.01233258|0.00332033|0.00303891|-0.30560897|0.04831413|0.09745691|0.01114772|0.00143294|-0.00088493|0.00102150|-0.00086240|-0.00136051|0.00052261|-0.00018784|-0.00036804|0.00010476|-0.00003633|-0.00006997|-0.00001429|-0.00002186|-0.00030052|-0.00012701|0.00010369|0.00012053|0.00009502|-0.00005826|0.00003260|-0.00029127|0.00032998|0.00036885|-0.00007811|-0.00331237|0.00187384|0.00020777|-0.00026948|0.00031247|0.00045296|0.00000694|0.00048750|0.00044830|-0.00062182|-0.00027735|0.32164014|-0.00016662|-0.00056074|-0.00137946|-0.03097564|0.00887945|0.01103008|0.04478681|-0.06645110|-0.01046362|0.02325730|-0.00638051|-0.01084880|-0.00167998|-0.00018118|-0.00550899|-0.00037131|-0.00028472|0.00001250|0.00002903|-0.00000767|0.00003133|-0.00017190|-0.00007902|-0.00064267|-0.00013395|-0.00002816|0.00018690|0.00012526|0.00020885|-0.00011168|-0.00128268|0.00081105|0.00014620|-0.00049555|-0.00613440|0.00505988|0.00021665|0.00018151|-0.00017422|0.00031347|0.00040174|0.00018555|0.00081149|0.00107046|-0.00182699|-0.05126626|0.06973817|0.00167231|-0.00126655|0.00084641|0.01126522|-0.00257893|-0.00299697|0.09121902|-0.01106905|-0.09902105|0.02701809|-0.01316925|-0.01437669|-0.00152955|0.00145119|-0.00598681|-0.00037730|-0.00048277|-0.00029036|0.00011872|0.00009775|0.00015906|0.00012832|0.00015973|0.00023151|0.00011498|0.00004343|0.00003273|-0.00005691|0.00011323|0.00001911|0.00046949|-0.00035295|-0.00005775|-0.00051654|0.00215493|-0.00129978|-0.00058328|0.00034066|0.00014968|-0.00062183|0.00043929|-0.00054166|-0.00006074|0.00023513|0.00074082|-0.10649842|0.02114172|0.10959906|-0.00016373|-0.00231771|0.00170120|0.01135598|-0.00461762|0.01002575|-0.16218981|0.07492652|-0.11446801|-0.00134169|0.00034076|0.00002435|0.00055519|0.00111421|0.00103134|-0.00005430|-0.00008847|0.00027275|0.00010782|0.00003548|0.00007755|-0.00005206|0.00018035|-0.00002915|-0.00011490|-0.00006915|-0.00001699|-0.00094493|0.00032865|0.00055454|0.00031843|-0.00015330|-0.00019809|0.00106355|0.00025433|-0.00030061|0.00077291|0.00037244|0.00074396|0.00027818|-0.00010838|0.00060908|-0.00010998|-0.00054415|0.00037868|-0.01728191|0.01575287|-0.02318394|0.16762755|-0.00244660|-0.00409540|0.00128202|0.01952104|-0.00614139|0.01386788|0.07734146|-0.12752592|0.08799214|-0.01503145|0.01290278|-0.01304093|-0.00023972|0.00232859|0.00109963|0.00003124|0.00013573|0.00017507|-0.00011581|-0.00002120|0.00006488|-0.00005426|-0.00017827|0.00007443|-0.00002988|-0.00014338|0.00000639|0.00040878|0.00035909|-0.00026405|-0.00052652|0.00010393|-0.00013591|0.00264196|0.00105653|-0.00184056|0.00079409|0.00208319|0.00072550|-0.00010325|0.00026937|-0.00022467|-0.00034839|-0.00137772|0.00173328|0.00348202|-0.00091431|0.00417305|-0.08497911|0.12083328|0.00164573|-0.00114041|-0.00676186|-0.00455309|0.00319474|-0.00616104|-0.10955776|0.08165422|-0.19211392|-0.01550893|0.01445217|-0.01893335|-0.00226813|0.00244148|0.00154216|0.00080157|-0.00018238|-0.00068606|0.00012224|0.00007574|0.00001265|0.00005736|0.00013772|-0.00015713|0.00004895|0.00019435|0.00019464|0.00013416|0.00012440|0.00001452|0.00041356|-0.00023978|0.00004860|-0.00083699|0.00087617|0.00078904|-0.00079565|0.00145727|-0.00135155|-0.00045342|0.00028060|0.00004970|0.00019638|0.00046455|-0.00055932|0.00732133|-0.00634164|0.01289113|0.12268811|-0.09582639|0.21017991|0.00166389|-0.00138748|0.00098599|-0.00013217|0.00013104|0.00037392|-0.00653085|0.00250130|-0.00009067|-0.00275747|0.01107839|0.03960401|-0.05845528|-0.00514107|-0.02448436|-0.00172148|-0.00633756|-0.02912441|0.00136491|0.00059381|-0.00034091|0.00049209|0.00020442|-0.00031337|-0.00096656|0.00074249|-0.00091846|-0.00217399|-0.00365213|-0.00003343|0.00041535|-0.00096381|0.00006126|-0.00242672|0.00014028|-0.00089708|0.00033393|0.00012314|-0.00054833|0.00000096|-0.00035162|0.00012672|0.00023040|0.00013392|-0.00018914|0.00019987|0.00145130|0.00153026|0.00003319|-0.00031454|-0.00002900|0.07062121|-0.00057329|0.00102045|-0.00222209|-0.00054380|0.00036487|-0.00014518|0.00456828|-0.00093124|-0.00035432|0.00364341|-0.00587490|-0.02108570|-0.00538199|-0.07623082|-0.05516072|-0.00196559|-0.00299063|-0.02115501|0.00052220|0.00196770|0.00012364|0.00058521|0.00005952|-0.00029294|-0.00059767|0.00050990|-0.00074491|-0.00070918|-0.00235447|0.00040427|0.00026208|-0.00060749|0.00005830|-0.00139657|-0.00059886|-0.00020608|-0.00009200|-0.00048714|0.00054978|-0.00005639|0.00024953|0.00012103|0.00005502|0.00002295|0.00005485|-0.00022541|-0.00085058|-0.00098555|-0.00012281|0.00007548|-0.00007199|0.00198834|0.07670773|-0.00058420|0.00094439|-0.00019932|-0.00000752|0.00003164|0.00037457|0.00288731|0.00114728|0.00216865|0.00289324|-0.00377789|-0.01016741|-0.01636353|-0.06113655|-0.32970108|-0.00022406|0.00044582|-0.00379194|0.00073839|0.00046793|0.00096952|0.00008855|0.00002212|0.00008945|-0.00019475|0.00034569|-0.00034365|-0.00065266|-0.00125398|0.00049555|0.00014084|-0.00032540|0.00003731|-0.00055272|0.00028918|-0.00007162|-0.00028279|-0.00061775|0.00107400|-0.00012628|-0.00013900|0.00051690|-0.00008552|-0.00015765|0.00006061|0.00004609|-0.00068914|-0.00049024|-0.00004787|0.00014222|0.00037282|0.01439618|0.06826223|0.35507726|-0.00565367|0.00185818|0.00340279|-0.00020803|0.00059608|-0.00002851|0.00100261|-0.00047748|-0.00138007|-0.00830736|0.03502665|-0.02093417|-0.05655787|0.00046110|0.00070341|0.00178106|-0.02627863|0.01407781|-0.00056826|-0.00144612|-0.00145925|-0.00054040|-0.00042756|0.00025612|0.00001721|-0.00002040|0.00012909|0.00118530|-0.00044064|0.00102075|0.00012712|-0.00140951|-0.00036193|-0.00400013|-0.00024446|0.00041436|-0.00001827|-0.00037777|-0.00010368|-0.00006001|0.00195177|-0.00029357|0.00039162|0.00007502|0.00021381|-0.00003849|-0.00007594|-0.00020402|0.00029351|-0.00022998|0.00045150|0.00062757|0.00096472|-0.00100098|0.07143217|0.00386822|0.00113907|-0.00223762|-0.00047029|0.00039296|0.00010144|-0.00039751|-0.00022539|0.00172579|0.00776438|-0.01666460|0.00965797|0.00357283|-0.26619645|0.12230759|-0.00014703|-0.01577365|0.01146786|-0.00046527|-0.00179976|-0.00182727|-0.00054065|-0.00009252|0.00074197|-0.00009414|-0.00006224|0.00004011|0.00188556|0.00182742|0.00108318|0.00018273|-0.00083556|-0.00039091|-0.00283149|-0.00014206|-0.00012022|-0.00012763|0.00019862|0.00003287|-0.00001297|-0.00120842|0.00018898|-0.00004469|-0.00005277|-0.00009445|-0.00008479|0.00016853|-0.00019513|-0.00038030|-0.00003349|-0.00095693|-0.00067803|0.01019202|-0.00330768|-0.00966703|0.28885827|0.00170650|-0.00185854|0.00003591|-0.00044965|0.00016673|0.00050830|-0.00059287|0.00001373|0.00085125|0.00158813|-0.01031254|0.00764812|-0.00425367|0.12808326|-0.14170164|-0.00115805|-0.00829873|0.00501094|-0.00016262|-0.00002562|-0.00006724|0.00002935|-0.00019677|0.00020332|0.00034357|0.00006796|0.00007558|-0.00071573|-0.00083391|0.00096526|0.00005655|-0.00032449|-0.00005710|-0.00092320|-0.00118697|-0.00039469|-0.00006245|-0.00031004|0.00045907|-0.00013421|-0.00036449|0.00036404|0.00008655|0.00014427|0.00001069|0.00007933|0.00018242|0.00034940|-0.00008686|0.00013020|0.00014639|-0.00142570|0.03216427|-0.01762683|0.00597448|-0.13683751|0.14278425|-0.00012319|0.00015849|0.00029963|-0.00013301|-0.00009854|-0.00012100|-0.00003732|0.00015253|0.00003632|0.00013431|0.00006346|-0.00001510|0.00148803|0.00053256|-0.00027283|0.00973814|-0.00940285|0.02060663|-0.09860681|0.05152527|-0.08352374|-0.00543934|0.01154696|-0.01597161|0.00006265|-0.00328900|-0.00310515|-0.00268260|-0.00012363|0.00270593|-0.00179502|0.00011781|0.00148925|0.00113324|-0.00133416|0.00216141|-0.00030871|0.00001477|-0.00007973|0.00003511|-0.00002060|-0.00015172|-0.00003612|-0.00000502|0.00001018|-0.00004919|-0.00003131|-0.00001407|0.00001331|0.00000614|-0.00003858|-0.00001114|-0.00004461|-0.00054431|0.00008322|-0.00000588|-0.00016930|0.10029396|-0.00004607|-0.00002403|0.00044348|0.00005719|0.00018690|0.00012989|0.00002711|0.00004118|0.00003877|-0.00020459|-0.00002107|-0.00020005|0.00071618|0.00045467|0.00047990|0.00413768|-0.00475427|0.00617019|0.05264245|-0.12893226|0.10986009|-0.00400412|0.00926628|-0.01726189|-0.00222635|-0.00147762|-0.00163465|-0.00130931|0.00235681|0.00191509|-0.00100330|0.00093076|-0.00275563|-0.00073394|-0.00087163|-0.00210330|0.00008978|0.00012189|-0.00018458|0.00000096|-0.00001908|-0.00011052|-0.00010855|0.00001203|-0.00000135|-0.00002537|-0.00003826|-0.00001635|0.00000917|0.00002113|-0.00004584|-0.00034407|-0.00032813|-0.00039476|0.00004286|-0.00002334|-0.00026003|-0.05787982|0.13315415|0.00018978|0.00019656|-0.00091644|0.00013178|-0.00032374|-0.00013741|-0.00014193|0.00005958|-0.00007011|0.00048103|-0.00008496|0.00030206|-0.00078739|-0.00068948|0.00001124|-0.01030233|0.00743569|-0.01358825|-0.07899629|0.10307848|-0.24216277|-0.00269909|0.00970825|-0.01077266|-0.00194495|0.00036532|-0.00336648|0.00060140|0.00135690|-0.00408736|-0.00166649|-0.00032600|0.00149496|0.00107947|0.00200536|0.00078613|0.00003484|-0.00005418|0.00045558|-0.00005156|-0.00001713|0.00021462|0.00010237|-0.00004295|-0.00000927|0.00003071|-0.00002371|0.00004025|-0.00001256|-0.00007482|0.00014287|0.00055565|0.00037964|0.00055516|-0.00005106|0.00000515|0.00024357|0.09019076|-0.11796678|0.26177262|0.00033624|-0.00012620|-0.00020460|0.00042680|0.00126597|0.00062081|0.00040259|-0.00000125|-0.00006008|-0.00032568|-0.00025377|-0.00035395|0.00119302|0.00067938|0.00023475|-0.01008853|0.02186843|0.00608071|-0.13271382|0.11937321|0.03783474|0.01178158|-0.01500684|-0.00703067|0.00123272|-0.00187208|-0.00106402|-0.00167984|-0.00100709|-0.00190667|-0.00153832|-0.00105644|-0.00220352|-0.00211454|-0.00108159|0.00474189|-0.00001231|-0.00003018|0.00004562|0.00003341|0.00003004|0.00007961|-0.00041677|0.00007901|-0.00004835|-0.00002618|0.00000698|-0.00005918|-0.00001341|0.00001420|-0.00004570|-0.00037737|-0.00030741|-0.00057474|-0.00018858|-0.00014556|0.00008305|-0.00499070|0.00936300|0.00335562|0.13756748|0.00002459|-0.00032717|-0.00004193|-0.00009424|0.00068828|0.00010036|0.00013874|-0.00017456|0.00002278|0.00011725|0.00023291|-0.00001670|0.00055208|0.00029342|-0.00056109|-0.00394586|0.00719823|0.00484172|0.11810156|-0.25346884|-0.06343318|0.01284227|-0.01404991|-0.00314941|-0.00189867|-0.00031220|0.00226941|-0.00056019|0.00253526|0.00165444|-0.00006478|-0.00166976|-0.00413774|-0.00139474|-0.00195210|0.00033877|-0.00005114|-0.00000173|-0.00004730|0.00013371|0.00008473|0.00004055|-0.00001897|0.00005026|-0.00004515|0.00006848|0.00012771|-0.00005520|-0.00003663|0.00003769|-0.00006384|0.00030147|-0.00003882|-0.00008605|0.00015356|0.00018502|0.00001384|0.00743937|-0.01126483|-0.00391715|-0.13210053|0.27200071|-0.00006651|0.00001007|-0.00035374|-0.00027578|-0.00090345|-0.00061967|-0.00012816|-0.00012752|0.00004953|0.00017448|0.00014430|0.00012900|-0.00071938|-0.00014820|0.00006746|0.00644248|-0.01667264|-0.00518294|0.03354827|-0.05632289|-0.08487201|0.01004770|-0.00996683|-0.00411610|-0.00022659|-0.00156465|-0.00008527|0.00188557|-0.00066993|0.00002022|0.00014133|-0.00359716|-0.00057622|0.00312141|-0.00130554|-0.00175692|0.00002902|-0.00000674|0.00013809|0.00002112|0.00002631|0.00006843|0.00039512|-0.00002133|0.00001487|0.00004027|0.00004214|-0.00000054|0.00000092|-0.00000138|0.00003060|0.00017714|0.00024684|0.00025701|0.00016613|0.00015057|-0.00002958|-0.01407352|0.02315483|0.01090000|-0.04076485|0.06713813|0.08637989|-0.00017632|0.00006203|0.00025289|-0.00004860|-0.00087254|-0.00058785|-0.00013594|0.00015649|-0.00014772|-0.00041262|-0.00008219|0.00001461|0.00031545|-0.00009744|0.00098824|-0.00237457|-0.00208071|-0.00209321|-0.00849986|-0.00161461|0.00688532|-0.26789204|-0.10112173|0.08902507|0.01051729|0.00372466|-0.00264045|-0.00023513|0.00142022|-0.00184436|-0.01387568|-0.01243838|0.00492141|-0.00375596|0.00284506|0.00164169|0.00003466|-0.00001652|-0.00002409|-0.00011625|-0.00005253|-0.00007252|-0.00003914|0.00007554|0.00003143|-0.00008210|-0.00007444|0.00005379|0.00002401|-0.00003018|0.00004068|0.00005936|0.00004099|-0.00001307|-0.00031621|-0.00025123|-0.00002178|-0.00011012|0.00030521|-0.00032626|0.00045998|-0.00045379|-0.00032644|0.28564988|0.00051582|-0.00046195|-0.00016753|0.00048809|0.00123632|0.00108570|0.00015993|-0.00034205|-0.00008874|-0.00087297|0.00007845|0.00006413|-0.00008745|0.00063345|0.00098054|-0.00287873|-0.00323111|-0.00288017|-0.01214407|-0.00521831|0.01162067|-0.10135806|-0.11199159|0.04307070|-0.01768867|-0.00655375|0.00238791|0.00011015|-0.00222898|0.00396592|0.02005659|0.01645460|-0.00841086|0.00455498|-0.00424431|-0.00192574|-0.00000444|0.00000573|0.00001254|0.00011256|0.00017898|0.00013164|-0.00007347|0.00002008|-0.00000049|0.00003721|0.00014280|-0.00001163|-0.00001234|0.00004625|-0.00005927|0.00002861|0.00010453|0.00000579|-0.00012491|-0.00006729|-0.00002396|0.00026908|0.00066139|-0.00042944|0.00055731|0.00003267|0.00028284|0.11023232|0.11458953|0.00034922|-0.00024799|-0.00008024|-0.00000834|0.00053653|0.00066272|-0.00004637|-0.00012675|-0.00018651|-0.00055223|-0.00006529|0.00008451|-0.00038094|0.00000254|0.00162124|-0.00386569|-0.00391292|-0.00403668|-0.01899419|-0.00570492|0.01539516|0.08761994|0.04247534|-0.10163730|0.02567788|0.00758080|-0.00462222|-0.00120333|0.00443419|-0.00509677|0.00525985|0.00500507|-0.00301367|0.00130828|-0.00191602|-0.00027278|-0.00000285|-0.00000900|0.00000632|0.00008276|0.00010067|0.00007314|-0.00001569|0.00000258|-0.00000527|0.00004116|0.00004398|0.00002629|-0.00001854|-0.00000536|0.00004312|0.00014255|0.00015193|0.00010128|-0.00028980|-0.00030066|0.00000749|0.00070811|0.00099973|0.00046490|0.00109772|0.00051554|0.00046389|-0.09699249|-0.04970558|0.09849827|0.00000266|-0.00015424|0.00005491|-0.00003512|-0.00002890|-0.00012618|0.00006615|0.00002179|-0.00018604|-0.00049287|0.00005062|0.00004403|-0.00001458|0.00090147|-0.00140382|-0.00186120|-0.00721126|-0.00073947|0.00063441|0.00001703|0.00116692|0.00482498|-0.00193894|0.00216746|-0.26764808|0.00172762|-0.15759335|-0.01183532|0.00551694|-0.02063752|-0.00049384|0.00038853|0.00084322|0.00055848|-0.00034637|0.00028043|0.00001715|0.00000296|0.00000888|-0.00001790|0.00004110|-0.00000282|-0.00000725|0.00005652|-0.00000829|-0.00002241|0.00001814|0.00003959|0.00003917|-0.00002651|0.00002351|-0.00041538|-0.00024588|-0.00008190|0.00000843|0.00008376|0.00007131|0.00018570|0.00022209|0.00043786|-0.00004697|0.00004945|-0.00010183|0.00003950|0.00071546|-0.00079056|0.27691337|0.00023375|-0.00016401|0.00002860|0.00016095|0.00051272|0.00027587|0.00011900|-0.00020738|0.00006991|-0.00025370|-0.00010989|0.00001009|0.00006840|0.00061690|-0.00035172|-0.00596999|0.00367819|0.00468555|-0.00035716|-0.00314564|0.00268917|0.01576384|0.00670529|0.00817463|0.00482384|-0.05795349|0.02027555|-0.01537410|0.00987975|-0.01108265|0.00006894|-0.00034225|0.00005000|-0.00036460|-0.00070651|-0.00116516|-0.00002048|-0.00000851|-0.00003518|0.00004746|0.00005195|0.00001939|-0.00007283|-0.00000356|0.00004977|0.00000078|0.00007908|-0.00005528|-0.00004667|0.00007378|-0.00006932|-0.00013148|-0.00006768|-0.00012579|0.00005832|-0.00004322|-0.00001424|0.00059115|0.00065376|-0.00003528|0.00016812|0.00013728|0.00011723|-0.00090457|0.00041167|-0.00086047|-0.00175397|0.04320717|0.00004683|0.00012318|0.00002192|0.00008729|-0.00016149|0.00039140|-0.00012961|0.00012274|0.00007669|-0.00004427|-0.00013289|-0.00003943|0.00024208|-0.00000177|0.00093415|-0.00140955|0.00696740|0.00208811|-0.00141657|0.00195490|-0.00235521|-0.01618866|-0.00287542|-0.00370089|-0.16276157|0.01785050|-0.17139832|0.00572943|0.00193075|0.01077106|0.00136016|-0.00040287|-0.00222807|-0.00084927|-0.00045364|-0.00048823|0.00002568|-0.00000004|0.00002641|-0.00006066|-0.00004399|-0.00000247|-0.00008053|0.00001450|0.00004637|-0.00005987|-0.00006849|-0.00000260|-0.00001006|0.00002953|-0.00001881|0.00022664|0.00015470|0.00005408|-0.00002562|-0.00016983|-0.00000561|-0.00082656|-0.00079884|-0.00099232|0.00016580|-0.00034744|-0.00004611|0.00109480|-0.00021136|0.00062274|0.17421881|-0.02014844|0.16849031|0.00010477|-0.00002745|-0.00003747|0.00008617|0.00048520|0.00002653|-0.00008982|0.00017247|-0.00045965|-0.00020550|-0.00004765|0.00012615|0.00168699|0.00124177|0.00065706|0.00911847|0.01278117|-0.01126179|-0.00270762|0.00097179|-0.00287112|-0.00361071|-0.00537205|-0.00269577|0.00381350|-0.02093234|0.02109123|-0.08178601|-0.05650448|0.04182999|-0.00008883|0.00079819|0.00078621|-0.00045286|-0.00073194|-0.00095762|0.00002211|-0.00002708|0.00007619|0.00000938|0.00000737|0.00002839|-0.00013669|-0.00001549|0.00006474|0.00007340|-0.00005687|0.00009522|-0.00022090|0.00018950|0.00015835|0.00013723|-0.00020595|0.00022300|-0.00016036|-0.00075956|0.00021785|0.00094378|0.00025977|-0.00038045|0.00017765|0.00000419|-0.00006512|0.00043786|-0.00086213|0.00110661|-0.00042979|0.00270898|0.00096710|0.07297725|-0.00000800|-0.00001973|-0.00005689|-0.00017168|-0.00026432|0.00015807|0.00025453|-0.00028329|0.00078047|0.00030643|0.00010294|-0.00025188|-0.00013429|0.00023620|-0.00017463|-0.00498444|-0.00026188|0.00154633|0.00138405|0.00007314|-0.00022414|-0.00693463|0.00439262|0.00361762|0.00039520|-0.00338610|0.01458101|-0.05880076|-0.20917080|0.16034988|-0.00005037|0.00042988|-0.00083714|0.00015132|-0.00067409|-0.00037287|-0.00001410|0.00000500|-0.00008467|0.00001329|0.00001143|0.00000886|0.00008671|-0.00000662|-0.00004462|-0.00008374|0.00010744|-0.00015519|0.00013865|0.00009506|-0.00032241|0.00003388|0.00017039|-0.00006898|0.00028990|0.00039600|-0.00004444|-0.00009264|-0.00009846|-0.00040124|-0.00000957|-0.00006774|0.00012565|0.00052471|-0.00076262|0.00121372|0.00179318|-0.00300557|-0.00351675|0.06602649|0.21196021|0.00025411|0.00012346|-0.00006120|0.00021401|0.00026052|0.00022636|-0.00010577|0.00030627|-0.00043794|-0.00029092|-0.00052653|0.00034008|0.00134020|0.00132586|0.00041285|0.00726872|0.01212152|-0.00544000|-0.00112912|0.00198599|-0.00198986|-0.00464191|0.00455919|0.00264402|-0.00330005|-0.00095597|0.00780443|0.04560948|0.16275005|-0.20093492|0.00078741|0.00070656|-0.00065546|-0.00046200|-0.00194632|-0.00223872|0.00002563|-0.00001025|0.00006330|-0.00003033|-0.00008605|0.00000825|-0.00017536|-0.00000497|0.00005752|0.00004747|-0.00012673|0.00010442|0.00022209|-0.00014098|0.00032169|0.00003519|-0.00030535|0.00018931|-0.00076883|-0.00118037|0.00019384|0.00084893|0.00027994|-0.00113204|0.00024486|-0.00026195|-0.00004550|0.00019755|-0.00019591|0.00079182|0.00246556|-0.00268849|-0.00244611|-0.04867181|-0.17606134|0.20171790|-0.00014385|0.00002510|0.00003002|0.00170159|0.00040583|-0.00143342|0.00012016|0.00001820|0.00006692|0.00010309|0.00019525|0.00009154|0.00095925|-0.00108952|-0.00018719|-0.00544544|-0.00209060|0.00233761|-0.00336824|0.00288379|0.00092432|0.01027522|0.02060174|0.00201985|-0.00093430|-0.00017422|0.00166109|0.00048070|0.00047444|-0.00086798|-0.07192210|-0.03656039|-0.00211836|0.00590002|-0.02997252|-0.00533235|0.00001019|0.00000365|0.00002175|-0.00006370|-0.00003391|-0.00004627|-0.00040710|0.00057618|0.00022679|-0.00003200|0.00001314|-0.00001923|0.00000483|0.00004576|-0.00001619|-0.00021156|-0.00016170|-0.00007672|-0.00033216|-0.00025344|-0.00008057|0.00021185|0.00001205|0.00016908|0.00092154|0.00069281|0.00055722|0.00053255|-0.00173085|-0.00023305|0.00003072|0.00043599|-0.00030183|0.00030054|-0.00011410|0.00001491|0.06130819|0.00016246|-0.00017540|-0.00006792|0.00043631|0.00029058|0.00130815|-0.00014557|-0.00007738|-0.00001929|-0.00008208|0.00044165|0.00009893|0.00100428|-0.00077456|-0.00003750|-0.00275346|-0.00063591|-0.00186691|0.00134519|-0.00088130|0.00032058|-0.00644557|-0.00672310|-0.00061115|0.00058194|0.00010655|-0.00067738|-0.00067359|0.00004476|-0.00006143|-0.04171200|-0.37006347|-0.05707991|0.00338712|-0.00910345|-0.00406556|0.00002941|-0.00001639|0.00000369|0.00000331|0.00007805|0.00004789|-0.00070703|0.00021593|0.00010647|-0.00004535|-0.00000614|0.00004374|0.00002320|0.00000920|-0.00003322|-0.00015060|-0.00008429|-0.00002367|-0.00025775|-0.00013716|-0.00007440|-0.00008953|-0.00000796|-0.00020409|-0.00040714|-0.00027651|-0.00013064|0.00070362|0.00050551|-0.00020765|0.00009941|-0.00024984|0.00018502|-0.00010390|0.00002091|0.00007186|0.04579732|0.38749974|-0.00111232|0.00019469|0.00033705|-0.00135500|0.00086391|-0.00610722|0.00054648|0.00001605|0.00005228|-0.00007780|-0.00011415|0.00001897|-0.00058895|0.00071567|0.00058313|0.00477102|-0.00246889|0.00941461|-0.00006460|-0.00181171|-0.00009302|-0.00166185|-0.00548677|0.00230167|0.00063259|0.00033594|-0.00219457|-0.00031674|-0.00113392|-0.00077814|-0.00461185|-0.05913924|-0.04846896|0.00170586|0.00474920|0.00879040|-0.00001273|-0.00002989|-0.00004683|-0.00017790|-0.00019228|-0.00028165|0.00010019|-0.00026418|0.00006562|-0.00000079|0.00014345|-0.00012540|0.00004235|0.00005883|-0.00003681|0.00017933|0.00005836|-0.00000139|0.00009123|0.00011510|0.00002528|-0.00014995|0.00026265|-0.00014886|-0.00026884|-0.00077141|-0.00083439|-0.00005720|0.00050229|0.00008853|-0.00015072|0.00018627|0.00020092|-0.00005386|0.00023559|0.00050594|0.00259205|0.06297442|0.03673285| 159.10480 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 64 65 66 67 68 69 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 127.2588 223.7999 354.8501 367.2973 413.8678 434.8704 481.2431 510.8965 532.9938 595.6774 639.5719 715.5720 729.7632 811.3643 822.8344 873.3996 900.6363 908.7295 918.6078 923.9326 958.6454 992.6765 998.7809 1006.8873 1027.3831 1042.7774 1055.2151 1078.1451 1104.2902 1130.2476 1155.5057 1182.4608 1197.8067 1203.9953 1241.9106 1258.1192 1299.1198 1320.4324 1336.2062 1361.9707 1367.2356 1392.6833 1397.6047 1402.7123 1421.5793 1435.5085 1462.0846 1467.2586 1484.6606 1511.2239 1643.6704 1650.3869 1654.6358 1680.0225 1795.1905 1878.8184 3219.6077 3225.8948 3230.6779 3239.4928 3258.3278 3266.9991 3274.4505 3282.6997 3287.8952 3288.3529 3378.4871 3394.0319 3408.7383 3.1184 3.3852 3.3664 2.7958 2.6328 2.0597 2.7055 3.6437 1.9383 2.6486 2.4602 2.7731 3.9359 3.1346 2.0811 4.4247 3.1404 2.0887 1.8861 2.5134 2.4777 2.1495 2.7233 2.0027 2.4603 2.9291 1.8267 2.0043 1.8215 1.7248 1.7597 1.2998 1.8029 1.2728 1.3823 1.7390 1.9918 2.4000 1.6009 1.7765 2.0037 1.5400 1.3138 1.4735 1.4920 1.4337 1.7318 1.6634 1.7498 1.3918 1.0896 1.0978 1.1074 1.1181 6.0558 8.1081 1.0601 1.0586 1.0582 1.0616 1.1077 1.0891 1.1095 1.1112 1.1014 1.0991 1.0877 1.0979 1.1081 0.0298 0.0999 0.2497 0.2222 0.2657 0.2295 0.3692 0.5604 0.3244 0.5537 0.5929 0.8366 1.2350 1.2158 0.8302 1.9887 1.5009 1.0162 0.9377 1.2641 1.3416 1.2480 1.6006 1.1963 1.5301 1.8766 1.1984 1.3727 1.3087 1.2981 1.3843 1.0708 1.5241 1.0871 1.2561 1.6218 1.9806 2.4654 1.6841 1.9416 2.2068 1.7599 1.5120 1.7082 1.7765 1.7407 2.1812 2.1099 2.2725 1.8727 1.7344 1.7618 1.7864 1.8594 11.4985 16.8632 6.4745 6.4906 6.5072 6.5638 6.9290 6.8487 7.0089 7.0548 7.0152 7.0026 7.3149 7.4514 7.5859 0.0616 1.0647 0.2264 0.6422 1.0394 0.3448 1.5997 2.0074 2.9671 0.7016 1.3520 7.8721 3.9121 12.7444 29.2904 1.6768 38.4145 2.4505 11.8161 9.9626 2.8545 2.4468 0.6277 10.6132 6.6980 9.9690 6.4935 0.9518 0.5516 2.0899 11.9397 1.0762 8.0847 1.0612 0.2606 3.6473 0.7336 3.5438 3.1368 2.7551 1.5892 15.0291 0.8696 3.3826 1.6364 2.1934 4.2590 1.4574 13.9605 14.4311 1.1168 0.8543 0.4609 0.5052 2.2041 5.0799 39.2826 46.0987 95.8597 38.8003 29.7260 41.8391 63.5988 37.5720 102.0084 25.6300 8.8731 16.4053 20.8546 0.4729 1.4587 1.2411 3.2995 4.1752 0.9984 5.0409 2.0304 1.3985 3.7778 3.6740 2.9659 7.9399 2.4156 3.3762 4.6791 3.5891 6.7619 6.3597 5.9560 0.6088 4.4790 2.9122 4.4601 2.8314 11.1000 7.8806 4.7877 3.5105 5.4328 6.8018 15.9343 5.6126 2.4274 3.9552 8.4727 1.8292 8.9093 9.7198 3.0267 3.0682 2.7922 1.0788 3.2368 1.2968 4.5077 3.7005 0.7391 4.5810 3.8773 13.0219 13.7399 5.4596 8.7639 5.7150 43.3069 41.0643 75.3997 67.8628 186.6002 59.6015 158.3716 66.3410 90.0351 40.5870 203.5955 76.2405 109.5323 164.5868 0.7496 0.7130 0.1546 0.5751 0.4109 0.7285 0.7337 0.4671 0.5645 0.7493 0.1844 0.6051 0.1140 0.0632 0.2651 0.1742 0.7493 0.7124 0.0549 0.2013 0.4723 0.5536 0.4003 0.6611 0.6202 0.4514 0.1400 0.3219 0.4172 0.5054 0.5802 0.6949 0.2757 0.6279 0.6818 0.7250 0.7462 0.2074 0.7374 0.6713 0.7495 0.6354 0.7470 0.6257 0.7441 0.7184 0.4948 0.6746 0.4581 0.5547 0.7175 0.7499 0.7081 0.6971 0.1978 0.2705 0.5266 0.2560 0.1196 0.1522 0.7482 0.1561 0.7494 0.6641 0.5425 0.3891 0.7406 0.3539 0.1416 0.8569 0.8324 0.2678 0.7302 0.5824 0.8429 0.8464 0.6368 0.7216 0.8567 0.3114 0.7540 0.2046 0.1190 0.4191 0.2967 0.8567 0.8320 0.1042 0.3352 0.6416 0.7127 0.5718 0.7959 0.7656 0.6220 0.2457 0.4871 0.5888 0.6715 0.7343 0.8200 0.4323 0.7714 0.8108 0.8406 0.8547 0.3435 0.8489 0.8033 0.8568 0.7770 0.8552 0.7698 0.8532 0.8361 0.6620 0.8057 0.6283 0.7136 0.8355 0.8571 0.8291 0.8215 0.3303 0.4258 0.6899 0.4077 0.2137 0.2642 0.8560 0.2700 0.8567 0.7982 0.7034 0.5603 0.8510 0.5227 0.2481 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 24 25 6 6 6 7 6 6 6 6 6 6 6 6 1 1 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 1.00783 1.00783 860.04382 1969.66664 2154.95042 0.99995 -0.00843 0.00563 0.00835 0.99986 0.01416 -0.00575 -0.01412 0.99988 1 0.10071 0.04397 0.04019 2.09843 0.91627 0.83749 183.10 322.00 510.55 528.46 595.46 625.68 692.40 735.07 766.86 857.05 920.20 1029.55 1049.97 1167.37 1183.88 1256.63 1295.81 1307.46 1321.67 1329.33 1379.28 1428.24 1437.02 1448.69 1478.18 1500.32 1518.22 1551.21 1588.83 1626.17 1662.51 1701.30 1723.38 1732.28 1786.83 1810.15 1869.14 1899.81 1922.50 1959.57 1967.15 2003.76 2010.84 2018.19 2045.34 2065.38 2103.61 2111.06 2136.10 2174.31 2364.88 2374.54 2380.65 2417.18 2582.88 2703.20 4632.30 4641.34 4648.22 4660.91 4688.01 4700.48 4711.20 4723.07 4730.55 4731.21 4860.89 4883.25 4904.41 0.233833 0.241261 0.242205 0.201616 -478.202186 -478.194758 -478.193814 -478.234403 1.361362D-04 MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1CC13CC(C=C1)C=C23 RHF 6-31G(d) (6D,10F) C1 159.104799 |X|Y|Z| 31.180806 19.073206 16.312499 21.327691 12 6 7 11 1 |36.858105| |12.316517|36.858105| |9.296252|12.317252|36.858105| |12.844124|8.938880|12.821351|53.358707| |7.869360|6.793579|7.849597|17.676099|36.858105| |6.588214|7.388117|6.846504|10.297180|12.335190|36.858105| |5.017320|5.235227|4.503588|6.838821|7.043823|12.272390|36.858105| |4.242660|5.029442|4.182625|5.626954|5.079857|8.520816|12.278651|36.858105| |3.804101|4.567957|4.277541|5.528575|5.109730|8.231349|8.152999|12.400551|36.858105| |4.481355|5.324701|5.473023|7.144617|7.210070|12.356876|8.170245|8.291982|14.443450|36.858105| |5.302826|7.308712|5.146286|6.428465|5.181545|8.205853|8.116114|12.345304|7.664218|6.773283|36.858105| |7.827837|12.768054|7.774755|9.496512|7.420706|12.299769|8.148579|8.289249|6.781698|7.683250|14.459349|36.858105| |17.575359|8.391184|6.307017|11.872721|7.345951|6.488113|5.603465|4.444837|3.766665|4.282573|5.342393|7.230084|0.500000| |17.571078|8.623699|7.548725|12.264267|5.707148|4.810855|3.914094|3.447121|3.150337|3.616459|4.225121|5.605948|0.299292|0.500000| |8.313809|17.584399|8.300353|8.334994|4.900386|5.386464|4.289007|4.409746|3.975024|4.338796|6.571862|8.740822|0.179080|0.205110|0.500000| |7.559583|8.634459|17.580550|12.261176|5.699280|4.933816|3.601861|3.407753|3.473257|4.219035|4.127620|5.584414|0.147160|0.209151|0.205005|0.500000| |6.302088|8.376046|17.579994|11.849499|7.304291|6.960810|4.464996|4.308938|4.805445|6.511921|5.040575|7.131299|0.136302|0.147007|0.178561|0.299761|0.500000| |7.062196|5.462476|5.713168|12.535314|17.561119|8.742628|6.891535|4.628489|4.396863|5.604072|4.545471|5.925397|0.213756|0.149437|0.116576|0.127305|0.144409|0.500000| |5.688404|5.283491|6.750495|12.507612|17.561787|8.756547|5.674322|4.409668|4.858189|7.132654|4.299045|5.648014|0.145404|0.127418|0.113359|0.145489|0.198552|0.303814|0.500000| |5.345978|5.168133|4.221610|6.647242|6.279860|8.585932|17.560294|8.591449|5.703726|5.709457|7.309627|7.329007|0.182792|0.116144|0.119944|0.096270|0.110443|0.188208|0.136172|0.500000| |4.115261|4.139002|3.828403|5.896818|6.179278|8.583602|17.562657|8.580224|7.327941|7.337712|5.683994|5.697541|0.126088|0.092973|0.096785|0.087585|0.108038|0.178333|0.152246|0.297656|0.500000| |3.530429|4.039402|3.401693|4.601828|4.004724|5.808163|8.406682|17.611211|8.529313|5.846824|8.513029|5.847805|0.104346|0.082608|0.103202|0.079961|0.096517|0.105807|0.099269|0.196965|0.196726|0.500000| |3.157833|3.744444|3.584937|4.567242|4.028201|5.652771|5.737847|8.193566|17.741836|8.846340|5.804827|5.051856|0.086500|0.075037|0.094317|0.084033|0.112670|0.098852|0.110356|0.122852|0.154747|0.199883|0.500000| |4.027054|4.660220|5.324799|6.793732|6.530084|8.201949|5.749920|5.677965|8.843973|17.726847|5.045192|5.811446|0.104099|0.093406|0.107745|0.117557|0.190203|0.140427|0.207857|0.122994|0.155045|0.123751|0.200290|0.500000| |4.561576|6.211625|4.400552|5.367862|4.082192|5.638119|5.724224|8.174793|5.798016|5.041674|17.737785|8.835805|0.126970|0.107010|0.178080|0.103692|0.118639|0.102295|0.097182|0.154613|0.122604|0.199785|0.136590|0.112798|0.500000| 478.225393 -2567.307308 953.144165 -68.512230 -1204.449980 726.013963 -478.436017 2.000440 407CFFFFFFFFFFF0 419922467FFFFFFD 4132B44C47711DC2 412B043FFFFFFFFF 4060FFFFFFFFFFFF 41D890B51FFFFFFE