Version2.0 2020-02-06T22:46:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)Nc1cc2c([nH+]c1)N([C@@H]([C@@H]2NC(=O)CCOC)C(=O)OC)CCC3=c4ccccc4=[NH+]C3 C63993956 RHF 6-31G(d) (6D,7F) CC[C@H](C)Nc1cc2c([nH+]c1)N([C@@H]([C@@H]2NC(=O)CCOC)C(=O)OC)CCC3=c4ccccc4=[NH+]C3 C01[X(C27H37N5O4)] 213 C1 614 COCCC(=O)N[C@H]1[C@@H](C(=O)OC)N(c2c1cc(c[nH+]2)N[C@H](CC)C)CCC1=c2ccccc2=[NH+]C1 COCCC(=O)N[C@H]1[C@@H](C(=O)OC)N(c2c1cc(c[nH+]2)N[C@H](CC)C)CCC1=c2ccccc2=[NH+]C1 CC[C@H](C)Nc1c[nH+]c2N(CCC3=C4C=CC=CC4=[NH+]C3)[C@@H]([C@H](NC(=O)CCOC)c2c1)C(=O)OC InChIKey=DIIHJCOELPOJFI-AJHZIAPWSA-P InChI=1S/C27H35N5O4/c1-5-17(2)30-19-14-21-24(31-23(33)11-13-35-3)25(27(34)36-4)32(26(21)29-16-19)12-10-18-15-28-22-9-7-6-8-20(18)22/h6-9,14,16-17,24-25,30H,5,10-13,15H2,1-4H3,(H,31,33)/p+2/t17-,24+,25-/m0/s1 InChI=1/C27H35N5O4/c1-5-17(2)30-19-14-21-24(31-23(33)11-13-35-3)25(27(34)36-4)32(26(21)29-16-19)12-10-18-15-28-22-9-7-6-8-20(18)22/h6-9,14,16-17,24-25,30H,5,10-13,15H2,1-4H3,(H,31,33)/p+2/t17-,24+,25-/m0/s1/fC27H37N5O4/h28-29,31H/q+2 CC[C@H](C)Nc1cc2c([nH+]c1)N([C@@H]([C@@H]2NC(=O)CCOC)C(=O)OC)CCC3=c4ccccc4=[NH+]C3 C01[X(C27H37N5O4)] 213 C01 614 COCCC(=O)N[C@H]1[C@@H](C(=O)OC)N(c2c1cc(c[nH+]2)N[C@H](CC)C)CCC1=c2ccccc2=[NH+]C1 COCCC(=O)N[C@H]1[C@@H](C(=O)OC)N([C@H]2C1=C[C@H](CN2)N[C@H](CC)C)CCC1=C2C=CC=C[C@H]2NC1 CC[C@H](C)N[C@H]1CN[C@H]2N(CCC3=C4C=CC=C[C@H]4NC3)[C@@H]([C@H](NC(=O)CCOC)C2=C1)C(=O)OC InChIKey=ARNBFZFGSBTKGO-GSIBAWLTSA-N InChI=1S/C27H41N5O4/c1-5-17(2)30-19-14-21-24(31-23(33)11-13-35-3)25(27(34)36-4)32(26(21)29-16-19)12-10-18-15-28-22-9-7-6-8-20(18)22/h6-9,14,17,19,22,24-26,28-30H,5,10-13,15-16H2,1-4H3,(H,31,33)/t17-,19+,22+,24+,25-,26-/m0/s1 InChI=1/C27H41N5O4/c1-5-17(2)30-19-14-21-24(31-23(33)11-13-35-3)25(27(34)36-4)32(26(21)29-16-19)12-10-18-15-28-22-9-7-6-8-20(18)22/h6-9,14,17,19,22,24-26,28-30H,5,10-13,15-16H2,1-4H3,(H,31,33)/t17-,19+,22+,24+,25-,26-/m0/s1/f/h31H 3842.6209555105 -1615.2211721 1-A 26595.3613 132 482 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.80320 -20.74944 -20.70266 -20.67682 -15.88618 -15.86107 -15.83573 -15.76642 -15.75424 -11.58158 -11.57504 -11.56804 -11.53502 -11.52604 -11.52110 -11.52023 -11.50580 -11.50152 -11.49730 -11.49540 -11.49164 -11.48987 -11.48214 -11.48137 -11.48025 -11.46635 -11.46447 -11.46287 -11.45498 -11.42858 -11.40240 -11.38108 -11.37350 -11.36682 -11.36499 -11.34511 -1.67357 -1.58651 -1.57130 -1.56832 -1.56614 -1.50269 -1.50208 -1.44196 -1.42393 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15952.4922 33723.1136 45741.3304 0.99995 -0.00991 0.00068 0.00991 0.99995 0.00018 -0.00068 -0.00018 1.00000 1 0.00543 0.00257 0.00189 0.11313 0.05352 0.03946 13.81 18.62 21.61 36.29 45.00 45.42 58.13 62.47 68.10 77.67 89.61 106.11 132.36 146.31 158.05 169.54 172.13 173.38 180.89 212.81 225.02 233.13 252.98 272.82 288.94 299.33 321.03 340.17 343.19 353.29 357.40 374.93 395.34 412.42 429.56 436.25 473.27 492.72 504.96 535.09 543.67 564.46 612.48 621.64 648.35 669.95 703.66 715.10 757.77 763.43 769.51 805.38 815.51 834.43 856.84 862.85 896.65 930.14 935.86 947.27 972.48 1054.07 1104.84 1117.48 1128.40 1131.57 1163.15 1176.59 1192.65 1201.79 1219.55 1233.07 1261.78 1273.74 1286.85 1288.59 1294.22 1305.08 1369.99 1372.91 1408.54 1425.94 1470.19 1482.10 1501.79 1506.30 1508.26 1522.09 1551.24 1569.52 1582.18 1587.88 1612.36 1613.64 1617.79 1619.52 1640.90 1655.82 1659.58 1671.86 1697.77 1727.40 1741.88 1758.99 1776.63 1791.76 1819.56 1840.14 1845.16 1855.97 1857.87 1859.49 1860.47 1862.50 1875.77 1889.99 1894.24 1913.03 1917.53 1942.23 1952.36 1974.93 1991.55 1999.00 2012.27 2034.93 2048.04 2060.05 2065.11 2092.86 2097.72 2104.38 2124.00 2135.80 2158.96 2165.65 2175.33 2181.57 2213.87 2216.64 2236.04 2253.65 2258.80 2261.40 2262.97 2282.75 2287.19 2291.07 2294.06 2316.53 2333.06 2346.48 2353.48 2356.40 2356.81 2357.28 2358.62 2359.25 2361.09 2364.00 2366.72 2373.44 2374.02 2382.74 2396.62 2421.93 2428.71 2458.79 2476.82 2515.26 2560.53 2599.37 2664.50 2692.90 2816.42 2886.98 4588.96 4596.83 4600.81 4608.67 4618.76 4619.85 4629.18 4629.30 4644.73 4652.05 4672.89 4677.96 4678.16 4680.37 4699.64 4701.42 4705.65 4707.36 4709.79 4712.93 4732.53 4735.12 4779.04 4787.75 4806.71 4837.88 4876.41 4884.60 4891.96 4895.29 4910.18 4920.50 4991.18 5526.13 5534.95 5542.13 5550.37 0.670603 0.705725 0.706670 0.596982 -1614.550569 -1614.515447 -1614.514502 -1614.624190 3.678954D-04 MUNgauss RevisionA2.0 retrievium 06-Feb-2020 DUDE CC[C@H](C)Nc1cc2c([nH+]c1)N([C@@H]([C@@H]2NC(=O)CCOC)C(=O)OC)CCC3=c4ccccc4=[NH+]C3 C63993956 RHF 6-31G(d) (6D,10F) C1 495.284555 |X|Y|Z| 89.421469 131.558486 35.933337 75.050353 20 6 7 17 3 |36.858105| |12.468743|36.858105| |7.405700|12.437531|36.858105| |6.987769|8.947726|17.539867|0.500000| |4.865892|7.516230|12.443510|0.245849|36.858105| 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|1.608242|1.621688|1.789746|0.049289|1.729178|2.777939|2.338094|2.742835|3.321170|3.247374|3.638582|0.070718|2.329441|5.368334|5.183567|0.137757|4.376621|0.117343|6.298139|3.808762|5.896361|3.530403|2.903139|4.740350|2.283898|8.107620|12.542941|23.600298|36.858105| |2.181704|2.207848|2.610054|0.076446|2.467828|4.018011|3.723455|3.973172|5.233754|7.778004|8.771910|0.193979|4.404519|17.765963|7.451323|0.192214|5.010457|0.117621|5.485124|3.162278|5.248284|2.692647|2.248694|3.611161|1.779317|5.817644|9.665654|8.024248|3.541577|36.858105| |1.858828|1.884247|2.175659|0.062874|2.099021|3.290971|2.919233|3.140265|3.965604|5.060061|5.904044|0.128691|3.299539|10.354334|6.152176|0.161331|4.166300|0.100609|4.953830|2.885011|4.699179|2.550392|2.133031|3.489286|1.720831|6.171239|11.005888|8.702779|4.014459|12.366780|36.858105| |1.715641|1.732125|1.978424|0.057800|1.918522|2.912167|2.513655|2.607679|3.115786|3.856663|4.903794|0.111075|2.864487|6.779627|4.189242|0.115499|3.163240|0.079294|3.852068|2.352296|3.901817|2.127293|1.827286|3.030247|1.518100|4.187477|7.580569|6.478275|3.200150|7.544155|12.656594|36.858105| |1.635656|1.629342|1.832977|0.053803|1.759768|2.676521|2.269628|2.342076|2.734632|3.267346|4.219309|0.094360|2.551413|5.450509|3.568120|0.103486|2.781541|0.071984|3.368744|2.106047|3.554630|1.906057|1.666973|2.766084|1.401208|3.512990|6.123151|5.766965|2.888798|5.614894|7.382283|14.106774|36.858105| |1.631977|1.601325|1.778979|0.052165|1.682496|2.612984|2.198835|2.294932|2.665732|3.086103|3.927972|0.085365|2.421444|5.060745|3.513191|0.107655|2.755710|0.073383|3.284118|2.073891|3.551073|1.859046|1.641700|2.706501|1.378618|3.397094|5.653843|5.853501|2.903942|4.895741|5.784177|7.419108|13.157038|36.858105| |1.517527|1.480617|1.624396|0.047696|1.537102|2.356457|1.946609|2.009139|2.274764|2.573006|3.346440|0.072510|2.125479|4.040583|2.841093|0.086464|2.332127|0.063015|2.821153|1.821021|3.146508|1.649665|1.478651|2.452249|1.261331|2.759918|4.637980|4.849665|2.476652|3.690650|4.133689|5.140489|7.952054|14.233896|36.858105| |1.420469|1.394799|1.527658|0.044934|1.461093|2.185463|1.788533|1.818789|2.029888|2.298043|3.055587|0.067012|1.964005|3.539646|2.443669|0.072218|2.052431|0.055060|2.528806|1.647325|2.839057|1.512530|1.362530|2.279926|1.177405|2.399907|4.143031|4.163628|2.172439|3.198686|3.579188|4.648237|6.863984|7.844621|13.110788|36.858105| |1.415872|1.405058|1.550548|0.045639|1.499444|2.206156|1.810598|1.826727|2.040181|2.341760|3.148339|0.070119|2.011239|3.614325|2.434622|0.070229|2.044322|0.054055|2.543915|1.650691|2.821905|1.526088|1.368122|2.300584|1.184696|2.411801|4.261652|4.094587|2.148124|3.313697|3.788163|5.284646|7.619688|6.589125|7.695970|14.074959|36.858105| |1.513346|1.513885|1.692913|0.049795|1.643607|2.427182|2.023119|2.048825|2.328907|2.740378|3.659308|0.082630|2.276502|4.352796|2.851163|0.081052|2.332237|0.060612|2.892335|1.844926|3.121678|1.698778|1.502693|2.520636|1.286559|2.836583|5.077437|4.690395|2.429750|4.191643|5.084738|8.409470|13.116890|7.620423|6.816874|8.083209|13.445999|36.858105| |1.507714|1.527143|1.720608|0.050503|1.695170|2.452918|2.047000|2.056388|2.331419|2.768633|3.745336|0.085743|2.324859|4.370689|2.796080|0.077055|2.311851|0.059217|2.914649|1.856499|3.113013|1.726693|1.520382|2.566463|1.306025|2.815234|5.207206|4.548346|2.378907|4.158053|5.076597|8.269314|8.435364|5.286932|4.660562|5.266581|7.728949|14.532699|53.358707| |1.430252|1.453322|1.629711|0.047791|1.618082|2.300163|1.898182|1.891682|2.113278|2.475124|3.390777|0.077371|2.147090|3.811130|2.461970|0.067526|2.085246|0.053631|2.661267|1.715790|2.882197|1.611674|1.429437|2.428795|1.241873|2.487151|4.631612|4.047704|2.147720|3.478305|4.071590|5.820838|5.910656|4.229000|3.952371|4.648913|6.824934|9.284433|25.971296|0.500000| |1.618308|1.653876|1.890079|0.055211|1.870967|2.728364|2.320286|2.352063|2.728375|3.332417|4.434834|0.102427|2.662677|5.471632|3.368453|0.090090|2.709781|0.067800|3.419452|2.130292|3.521589|1.972834|1.706771|2.871021|1.444329|3.427676|6.522938|5.316162|2.738996|5.414261|7.240515|12.685624|8.215237|5.072587|4.105621|4.155542|5.198661|8.372187|17.937437|0.244168|36.858105| |17.579413|8.826237|5.442647|0.142295|4.065744|6.490100|3.682913|3.173465|2.636547|2.458094|3.617505|0.068161|3.222037|2.866134|2.023103|0.055751|2.256742|0.063552|2.833891|2.141727|4.189254|1.918317|1.893828|3.029541|1.631945|1.760571|2.983149|2.957257|1.493388|1.946172|1.685395|1.566180|1.502327|1.504484|1.409706|1.324205|1.317005|1.397995|1.893143|0.036798|1.482808|0.500000| |17.568130|8.739500|6.645492|0.171107|4.419373|9.412932|5.089344|4.330800|3.414949|3.082708|4.506595|0.082080|4.133081|3.485075|2.468201|0.068120|2.824755|0.080224|3.446541|2.596290|5.188739|2.246129|2.183939|3.414386|1.809828|2.086747|3.485601|3.483578|1.726584|2.311169|1.957077|1.785734|1.701738|1.710356|1.582302|1.467183|1.454585|1.558319|2.101733|0.040462|1.664458|0.302218|0.500000| |17.542969|8.781067|6.720665|0.207558|4.534733|7.573260|4.402305|3.558266|2.969970|2.857296|4.371638|0.082747|4.020648|3.269335|2.246047|0.062102|2.461016|0.068413|3.008726|2.208049|4.260556|1.948046|1.873452|2.991121|1.586561|1.916628|3.239267|3.181883|1.586844|2.244623|1.900387|1.771264|1.698549|1.696300|1.582682|1.484436|1.478705|1.576056|2.131399|0.041267|1.671194|0.302251|0.301494|0.500000| |8.818574|17.499766|8.872817|0.174902|6.812412|9.722324|4.735073|3.899244|3.068761|2.795530|4.141188|0.076270|3.869094|3.175225|2.221030|0.059277|2.555536|0.070054|3.307549|2.544795|4.940209|2.302276|2.268891|3.619731|1.930618|1.940966|3.338381|3.198979|1.617838|2.092355|1.807170|1.651938|1.550420|1.525014|1.409575|1.326778|1.335852|1.439355|1.978558|0.038459|1.577882|0.212682|0.209077|0.172585|0.500000| |8.868518|17.560443|8.951929|0.212395|7.156097|7.716771|4.160701|3.306880|2.733256|2.621923|4.028710|0.076646|3.766543|3.007589|2.054932|0.055199|2.277322|0.061822|2.914992|2.176849|4.123326|1.984499|1.927041|3.126768|1.666608|1.801585|3.118620|2.961187|1.501397|2.041031|1.761044|1.639165|1.547114|1.514674|1.409614|1.339017|1.353636|1.452207|2.001200|0.039104|1.581836|0.214377|0.172783|0.211060|0.305018|0.500000| |4.495877|6.890012|8.798196|0.173242|17.557691|9.309040|5.205515|4.086374|3.302299|3.119069|4.775892|0.088619|4.550740|3.501945|2.364807|0.061026|2.694350|0.070362|3.604550|2.715278|4.986900|2.526135|2.408202|3.922030|2.044068|2.096681|3.714606|3.361052|1.708773|2.288843|1.978607|1.800062|1.651684|1.584250|1.449547|1.376751|1.410097|1.542239|2.164002|0.042217|1.754818|0.108633|0.116011|0.111293|0.204496|0.179582|0.500000| |4.558127|6.802868|8.802872|0.213974|17.571493|7.592602|4.550155|3.469532|2.938532|2.932445|4.696508|0.090927|4.482994|3.330668|2.197292|0.057467|2.404136|0.062856|3.137758|2.293549|4.178619|2.125990|2.009759|3.307390|1.731931|1.945029|3.449262|3.121705|1.587231|2.257521|1.943817|1.806706|1.670034|1.595248|1.469814|1.408542|1.448674|1.577438|2.218273|0.043512|1.779740|0.109566|0.110255|0.122202|0.165513|0.212818|0.301522|0.500000| |4.018489|5.461263|8.727260|0.208839|17.549030|9.493741|6.315725|4.522334|3.780755|3.810841|6.308046|0.118354|6.401653|4.155480|2.669576|0.068049|2.958904|0.074986|3.870812|2.776922|4.961121|2.541673|2.327433|3.791239|1.937686|2.332973|4.171167|3.655259|1.837242|2.731423|2.305226|2.094661|1.895099|1.789325|1.621622|1.543422|1.596031|1.767714|2.504852|0.048714|2.056397|0.094367|0.105645|0.107567|0.140202|0.143481|0.301796|0.301727|0.500000| |6.052826|7.379174|9.081479|0.181593|6.489491|26.023469|9.505702|7.555007|4.929699|4.095886|5.905344|0.100863|5.843794|4.351528|3.054861|0.079753|3.766221|0.101825|4.749786|3.663274|7.313536|3.102064|2.937142|4.477243|2.298018|2.560544|4.336989|4.133486|2.032837|2.703574|2.263636|1.997312|1.841850|1.809071|1.637018|1.516251|1.525110|1.670749|2.293290|0.043966|1.869337|0.133731|0.193786|0.138840|0.220101|0.147616|0.184270|0.135701|0.160013|0.500000| |3.795755|3.948710|4.654452|0.115633|3.961505|9.846099|8.733127|17.724105|9.065636|5.663243|6.835231|0.110466|5.666208|5.880843|4.471787|0.113554|6.595072|0.181098|7.796774|6.093573|13.348805|4.371348|3.868362|5.495364|2.694415|3.538733|5.742849|5.650985|2.666057|3.337226|2.759935|2.321821|2.113424|2.094282|1.854704|1.681172|1.678794|1.862193|2.533970|0.047848|2.104321|0.090480|0.124447|0.096148|0.112651|0.090456|0.110447|0.090323|0.111982|0.227291|0.500000| |4.023215|4.516018|6.857834|0.235995|6.069691|9.410943|8.831549|5.611693|5.011880|5.811695|12.522697|0.232846|17.840265|5.796305|3.424623|0.088521|3.607040|0.090077|4.292840|2.883948|5.163528|2.498177|2.218525|3.545965|1.793039|2.799779|4.870737|4.306524|2.087097|3.890871|3.006435|2.710437|2.440873|2.301042|2.047993|1.920981|1.980400|2.225264|3.114516|0.059325|2.582118|0.091242|0.111565|0.117916|0.108127|0.113400|0.131197|0.144284|0.201993|0.142407|0.122889|0.500000| |2.157847|2.271905|2.631912|0.070104|2.589555|4.331721|3.866971|5.000782|6.501283|5.529318|5.717002|0.102313|3.677257|7.923945|7.045661|0.143795|8.995514|0.180977|25.988461|9.308450|10.933941|7.426601|4.693470|7.037201|3.086643|7.547402|13.751095|10.139729|4.772137|4.144945|3.865755|2.975400|2.547386|2.429611|2.078445|1.880087|1.913844|2.198403|3.060423|0.057085|2.681751|0.054285|0.064808|0.057846|0.063798|0.057104|0.072051|0.063209|0.078773|0.088853|0.131825|0.086112|0.500000| |2.093980|2.261244|2.538230|0.065042|2.587867|4.094959|3.327727|4.037938|4.197762|3.527324|4.176729|0.076066|2.994069|4.590920|3.688864|0.087399|4.661155|0.116208|9.435922|8.967766|11.107023|17.522038|8.899449|13.267752|4.902666|3.792491|6.990917|6.063099|3.225663|2.711439|2.558797|2.143640|1.902294|1.829813|1.623308|1.500819|1.527658|1.708416|2.389912|0.045699|2.018726|0.053645|0.062316|0.054694|0.065990|0.057107|0.075872|0.063092|0.076884|0.088670|0.118682|0.073019|0.205561|0.500000| |1.879317|1.971565|2.173735|0.056848|2.161847|3.473655|2.833937|3.468645|3.799223|3.240228|3.740463|0.069103|2.602926|4.476887|3.868310|0.093256|4.711509|0.123164|9.806328|8.934424|10.805541|17.557851|8.881934|13.223956|4.901091|4.293873|7.715484|7.318097|4.082388|2.680043|2.616879|2.176431|1.947360|1.898551|1.681809|1.540432|1.554394|1.732650|2.396538|0.045605|2.015247|0.048532|0.056273|0.049583|0.056904|0.050016|0.062217|0.053644|0.063516|0.074429|0.101697|0.063809|0.205334|0.304066|0.500000| |1.953612|2.021824|2.142569|0.055151|2.089201|3.428605|2.651244|3.214137|3.228144|2.676749|3.204592|0.058955|2.338962|3.536201|2.997564|0.077076|3.744868|0.108573|6.428169|6.831795|11.942103|8.834536|17.522283|16.520575|7.252832|3.042923|5.178655|5.447643|2.976060|2.179244|2.077773|1.784851|1.643924|1.637270|1.479443|1.356449|1.352382|1.477385|2.017943|0.038659|1.653177|0.051282|0.059215|0.050578|0.059722|0.050929|0.061268|0.051966|0.059291|0.076397|0.101592|0.057967|0.118076|0.173721|0.211778|0.500000| |2.201928|2.342334|2.493894|0.062643|2.470689|4.030908|3.048786|3.659865|3.468436|2.835995|3.471574|0.063185|2.615103|3.595302|2.914105|0.073721|3.724268|0.103835|6.327901|6.858961|12.385154|8.829816|17.529746|16.524125|7.226428|2.849063|4.943251|4.866673|2.589737|2.197853|2.049484|1.767522|1.617268|1.593219|1.439675|1.329647|1.335177|1.462900|2.014888|0.038733|1.655921|0.057520|0.066500|0.056122|0.070643|0.058575|0.074326|0.060513|0.069847|0.092294|0.118856|0.064715|0.118229|0.211935|0.173554|0.302065|0.500000| |1.795747|1.908842|1.978749|0.050240|2.005992|3.024328|2.230977|2.503870|2.405638|2.096388|2.645956|0.049592|1.990543|2.722358|2.156134|0.055677|2.541774|0.070744|4.089148|3.745394|6.576726|4.744960|7.214230|16.445926|17.526981|2.174155|3.858356|3.785868|2.103602|1.737583|1.661917|1.472136|1.361457|1.339758|1.228560|1.148760|1.155947|1.253068|1.731575|0.033650|1.403381|0.047998|0.052958|0.046093|0.057609|0.049080|0.060615|0.050639|0.056227|0.067801|0.077267|0.050914|0.080916|0.127252|0.117292|0.175390|0.214610|0.500000| |1.575744|1.668990|1.747012|0.045014|1.784053|2.639034|1.981855|2.210385|2.190515|1.955632|2.459244|0.046655|1.814097|2.600379|2.063060|0.053149|2.356841|0.064838|3.832225|3.348153|5.591869|4.396979|5.869102|16.881553|17.642456|2.148200|3.880324|3.766608|2.157242|1.678133|1.638387|1.456287|1.344504|1.317531|1.209182|1.134749|1.145377|1.242225|1.722806|0.033563|1.396700|0.042057|0.046144|0.041003|0.049547|0.043342|0.053135|0.045482|0.050647|0.057838|0.066269|0.046645|0.078176|0.119478|0.119372|0.147209|0.146963|0.299738|0.500000| |1.652119|1.721782|1.788122|0.046106|1.784237|2.742407|2.060183|2.346706|2.322578|2.031175|2.523267|0.047494|1.860737|2.699491|2.192349|0.057156|2.551351|0.072268|4.122401|3.745802|6.510626|4.754826|7.214102|16.447173|17.530254|2.260899|3.974860|4.048965|2.300909|1.730241|1.679109|1.483882|1.378807|1.367159|1.254294|1.167061|1.168217|1.263472|1.735350|0.033635|1.403308|0.044155|0.049018|0.042849|0.051160|0.044282|0.052845|0.045282|0.050250|0.060651|0.071860|0.047432|0.081012|0.117502|0.127631|0.215547|0.174482|0.299310|0.299743|0.500000| |1.550312|1.549266|1.689800|0.046549|1.621863|2.613360|2.170192|2.533627|2.996926|2.892166|3.295144|0.064063|2.144232|4.640748|4.412332|0.124332|3.877586|0.109233|5.437593|3.465157|5.559828|3.213404|2.748393|4.486727|2.204001|5.955108|9.073423|16.854918|17.701634|3.121766|3.464470|2.871573|2.679585|2.771898|2.410640|2.103611|2.048925|2.272250|2.985740|0.055312|2.463462|0.040214|0.046339|0.042482|0.042992|0.039872|0.044595|0.041515|0.047427|0.053388|0.069370|0.053683|0.109998|0.080476|0.101924|0.080116|0.068339|0.056402|0.057745|0.062644|0.500000| |1.607045|1.635073|1.804380|0.049227|1.759434|2.806945|2.349646|2.772315|3.312875|3.165448|3.564440|0.068739|2.313629|5.064816|4.773168|0.120938|4.371758|0.115597|6.882535|4.242042|6.324506|4.121149|3.306556|5.448938|2.569995|7.209643|12.415857|16.397818|17.662492|3.248855|3.575563|2.881580|2.577712|2.547669|2.201274|1.965475|1.962885|2.214669|3.000122|0.055887|2.543803|0.041509|0.047868|0.043740|0.045651|0.042033|0.048712|0.044716|0.051987|0.057533|0.075739|0.057513|0.149289|0.103347|0.139891|0.093610|0.079858|0.064747|0.067471|0.071649|0.298363|0.500000| |1.528535|1.545562|1.709601|0.047379|1.663609|2.619599|2.201714|2.522633|3.034387|3.081129|3.518094|0.069701|2.234583|5.176776|4.658883|0.123734|3.796955|0.099623|5.368568|3.264293|5.094730|3.085716|2.567876|4.279618|2.082365|7.153374|12.544718|16.373443|17.658646|3.588073|4.336259|3.506389|3.140374|3.100982|2.629363|2.320622|2.315122|2.643235|3.538079|0.064967|3.010122|0.039455|0.045233|0.042134|0.042635|0.040009|0.045463|0.042686|0.049316|0.052819|0.067253|0.056228|0.116603|0.080762|0.097647|0.072067|0.064403|0.053548|0.055317|0.057845|0.298124|0.299382|0.500000| |2.222764|2.279004|2.736624|0.081285|2.626208|4.114370|3.806131|3.831826|4.776375|7.272123|9.799376|0.253193|4.776090|12.556056|5.552982|0.141076|4.267963|0.100802|4.886845|2.903824|4.836948|2.524138|2.128553|3.452393|1.709586|4.600325|8.149839|6.515611|3.023153|17.591292|8.908333|7.097116|5.248387|4.348295|3.424179|3.102199|3.315348|4.227648|6.000313|0.103602|5.857828|0.054859|0.064466|0.064017|0.059458|0.059031|0.066713|0.067160|0.082081|0.075620|0.088540|0.121352|0.104067|0.071954|0.069127|0.056748|0.058334|0.046658|0.045008|0.045879|0.074660|0.078953|0.085661|0.500000| |2.231687|2.210349|2.578344|0.076458|2.381808|3.954741|3.610223|3.817921|4.858221|6.697191|7.958989|0.173474|4.217378|12.328589|6.555850|0.196359|4.628205|0.115146|4.930880|2.935645|5.017643|2.481828|2.116938|3.385655|1.687363|4.970926|7.859150|7.453777|3.289278|17.507351|8.787717|6.783972|5.866232|5.611827|4.163497|3.469936|3.469766|4.259814|5.420137|0.092617|4.771809|0.055315|0.066013|0.064455|0.057761|0.056682|0.061110|0.060901|0.071931|0.073788|0.090109|0.104733|0.099768|0.068470|0.068314|0.057676|0.057816|0.045944|0.044100|0.045919|0.083142|0.082741|0.091534|0.302320|0.500000| |1.796944|1.803526|2.052929|0.058898|1.963223|3.129584|2.745286|3.027896|3.830780|4.574108|5.185934|0.108551|3.000610|9.170082|6.599997|0.186445|4.284265|0.106506|5.063419|2.946339|4.812140|2.588968|2.170641|3.535209|1.744984|7.133831|11.562078|10.748425|4.790245|8.790540|17.590558|9.024890|6.869004|6.223630|4.352241|3.595788|3.639537|4.644091|5.948592|0.099505|5.568138|0.045508|0.052951|0.050804|0.048335|0.046669|0.051852|0.050463|0.059129|0.060556|0.075422|0.075437|0.107605|0.070707|0.074757|0.059509|0.057429|0.046546|0.046027|0.047702|0.114754|0.112339|0.145486|0.174227|0.213547|0.500000| |1.805821|1.855770|2.149990|0.061439|2.112868|3.249151|2.873596|3.102914|3.903605|4.879017|5.687198|0.122588|3.222170|9.682783|5.859620|0.141880|4.148038|0.097825|5.222045|3.008337|4.779349|2.717050|2.237547|3.695480|1.805410|6.566850|13.637143|8.758658|4.212268|8.848411|17.624931|8.942164|5.627999|4.476825|3.437630|3.101143|3.343451|4.389072|6.390389|0.108620|6.987635|0.045573|0.052615|0.050878|0.049804|0.048282|0.055740|0.054226|0.065023|0.062455|0.076133|0.081551|0.118389|0.076806|0.078249|0.059897|0.059274|0.048196|0.047970|0.048598|0.097707|0.107287|0.129119|0.210336|0.173510|0.303575|0.500000| |1.710234|1.669183|1.853712|0.054119|1.737030|2.762091|2.341588|2.491862|2.940517|3.367968|4.157032|0.088338|2.547433|5.634575|4.074722|0.130975|3.107794|0.083661|3.624595|2.268416|3.896694|2.003677|1.761816|2.877754|1.460738|3.872650|6.184529|6.810717|3.266724|5.329150|6.103401|6.544180|8.685116|17.744639|9.044181|5.578340|4.804959|5.480706|5.826287|0.097943|4.415669|0.043700|0.050260|0.049181|0.044267|0.043523|0.045558|0.045413|0.051174|0.053316|0.063253|0.066142|0.073541|0.054247|0.056887|0.049085|0.047378|0.039368|0.038573|0.040378|0.087162|0.078113|0.095354|0.123494|0.177326|0.201163|0.128248|0.500000| |1.491953|1.443603|1.569096|0.045972|1.475416|2.278992|1.867571|1.935897|2.173378|2.408647|3.121488|0.066668|2.012229|3.723964|2.685776|0.083015|2.241883|0.061569|2.708149|1.765977|3.078020|1.597219|1.443209|2.388886|1.234656|2.596455|4.304506|4.664949|2.390087|3.276045|3.552588|4.104568|5.623703|9.057972|17.755335|8.758173|5.584293|4.928695|5.024756|0.089986|3.356745|0.038662|0.043348|0.043203|0.038237|0.038138|0.038766|0.039206|0.042920|0.044196|0.050093|0.053762|0.054874|0.043377|0.045198|0.040363|0.039063|0.033424|0.032828|0.034261|0.065784|0.058930|0.069602|0.083811|0.103560|0.106193|0.083576|0.216049|0.500000| |1.344825|1.315723|1.428702|0.041982|1.366074|2.032521|1.645956|1.668650|1.840021|2.053190|2.744324|0.059759|1.792884|3.107688|2.169896|0.064126|1.858412|0.050266|2.303993|1.517984|2.630041|1.400346|1.272329|2.134828|1.108942|2.131750|3.677828|3.736446|1.969479|2.728013|2.983032|3.682805|4.949131|5.650530|8.779415|17.724805|9.094802|5.704305|5.720193|0.108592|3.399995|0.035010|0.038496|0.039065|0.034796|0.035205|0.035834|0.036740|0.039854|0.039301|0.043158|0.048946|0.047404|0.038546|0.039574|0.035271|0.034549|0.030094|0.029730|0.030596|0.053503|0.049801|0.058066|0.073864|0.081962|0.083744|0.073364|0.123997|0.215580|0.500000| |1.339786|1.333414|1.465435|0.043107|1.426363|2.066713|1.680862|1.683549|1.858578|2.115951|2.875475|0.064026|1.863054|3.209888|2.164814|0.061834|1.852374|0.049024|2.330509|1.526201|2.611192|1.422976|1.283110|2.169791|1.121976|2.153193|3.841771|3.657503|1.942049|2.868822|3.218727|4.289091|5.477331|4.805755|5.512505|8.950408|17.753612|8.753391|9.245789|0.193027|4.544809|0.034748|0.038028|0.038877|0.035236|0.035884|0.037301|0.038508|0.042111|0.039737|0.043157|0.051406|0.048811|0.039711|0.040220|0.035173|0.034844|0.030451|0.030233|0.030699|0.051563|0.049826|0.058019|0.081100|0.082226|0.085356|0.081452|0.105046|0.123090|0.216654|0.500000| |1.532931|1.575220|1.792702|0.051796|1.791606|2.593343|2.192257|2.245893|2.601852|3.102492|4.059036|0.091474|2.473132|5.096554|3.244709|0.085377|2.635643|0.065789|3.416965|2.130884|3.483085|2.004792|1.728381|2.933418|1.471694|3.463382|6.844422|5.380994|2.855202|4.683083|6.484974|8.878346|6.258400|4.311662|3.583258|3.623010|4.409553|6.351895|12.367856|0.206161|17.541154|0.039175|0.043810|0.043644|0.042070|0.041876|0.047116|0.047285|0.054710|0.049791|0.056350|0.066267|0.075576|0.057175|0.057494|0.046398|0.046248|0.039514|0.039727|0.039656|0.070605|0.074195|0.089054|0.135846|0.112607|0.146223|0.198122|0.107840|0.083574|0.084605|0.110935|0.500000| 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