Version2.2 2021-02-11T12:24:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@]1(C(=O)N(C(=O)N1)CC(=C)C)C2CC[NH+](CC2)Cc3c(nc4ccccc4n3)C C11968484 RHF 6-31G(d) (6D,7F) CC[C@]1(C(=O)N(C(=O)N1)CC(=C)C)C2CC[NH+](CC2)Cc3c(nc4ccccc4n3)C C01[X(C24H32N5O2)] 183 C1 529 CC[C@@]1(NC(=O)N(C1=O)CC(=C)C)C1CC[NH+](CC1)Cc1nc2ccccc2nc1C CC[C@@]1(NC(=O)N(C1=O)CC(=C)C)C1CC[NH+](CC1)Cc1nc2ccccc2nc1C CC[C@@]1(NC(=O)N(CC(C)=C)C1=O)C2CC[NH+](CC2)Cc3nc4ccccc4nc3C InChIKey=SSRMBBKIECSFMN-XMMPIXPASA-O InChI=1S/C24H31N5O2/c1-5-24(22(30)29(14-16(2)3)23(31)27-24)18-10-12-28(13-11-18)15-21-17(4)25-19-8-6-7-9-20(19)26-21/h6-9,18H,2,5,10-15H2,1,3-4H3,(H,27,31)/p+1/t24-/m1/s1 InChI=1/C24H31N5O2/c1-5-24(22(30)29(14-16(2)3)23(31)27-24)18-10-12-28(13-11-18)15-21-17(4)25-19-8-6-7-9-20(19)26-21/h6-9,18H,2,5,10-15H2,1,3-4H3,(H,27,31)/p+1/t24-/m1/s1/fC24H32N5O2/h27-28H/q+1 CC[C@]1(C(=O)N(C(=O)N1)CC(=C)C)C2CC[NH+](CC2)Cc3c(nc4ccccc4n3)C C01[X(C24H32N5O2)] 183 C01 529 CC[C@@]1(NC(=O)N(C1=O)CC(=C)C)C1CC[NH+](CC1)Cc1nc2ccccc2nc1C CC[C@@]1(NC(=O)N(C1=O)CC(=C)C)[C@@H]1CC[NH](CC1)C[C]1[N][C]2[CH]=[CH][CH]=[CH][C]2[N][C]1C CC[C@@]1(NC(=O)N(CC(C)=C)C1=O)C2CC[NH](CC2)C[C]3[N][C]4C=CC=C[C]4[N][C]3C InChIKey=LJRDZHRPUAIJAY-XMMPIXPASA-N InChI=1S/C24H32N5O2/c1-5-24(22(30)29(14-16(2)3)23(31)27-24)18-10-12-28(13-11-18)15-21-17(4)25-19-8-6-7-9-20(19)26-21/h6-9,18,28H,2,5,10-15H2,1,3-4H3,(H,27,31)/t24-/m1/s1 InChI=1/C24H32N5O2/c1-5-24(22(30)29(14-16(2)3)23(31)27-24)18-10-12-28(13-11-18)15-21-17(4)25-19-8-6-7-9-20(19)26-21/h6-9,18,28H,2,5,10-15H2,1,3-4H3,(H,27,31)/t24-/m1/s1/f/h27H 3053.2175910067 -1349.3013204 1-A 20963.8838 113 416 529 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64777 -20.63020 -15.84923 -15.71433 -15.70832 -15.69385 -15.69198 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29.54 38.43 44.93 65.44 77.80 91.59 101.55 131.68 145.99 161.79 172.71 195.81 224.90 229.70 255.08 267.70 278.30 307.29 344.59 364.66 374.09 390.45 425.95 435.96 447.33 455.07 480.00 505.21 530.60 549.05 593.28 606.94 656.15 676.87 695.25 708.77 720.46 731.54 770.37 785.93 794.12 809.50 812.79 830.70 888.93 909.57 954.29 988.60 1016.99 1055.88 1088.97 1111.28 1130.22 1155.32 1189.29 1207.10 1224.96 1250.36 1252.63 1263.14 1268.92 1278.48 1295.07 1297.80 1350.61 1399.98 1421.61 1426.06 1427.14 1459.48 1479.09 1499.58 1529.33 1543.98 1568.94 1573.77 1575.25 1597.94 1599.44 1605.83 1609.10 1642.27 1645.90 1656.91 1659.41 1670.00 1675.30 1683.86 1695.79 1708.78 1742.63 1769.51 1795.01 1803.52 1805.70 1840.15 1852.19 1881.05 1908.98 1945.50 1979.27 1999.24 2006.21 2034.49 2052.01 2062.23 2097.52 2110.63 2118.47 2122.69 2138.99 2152.39 2156.67 2171.81 2173.92 2198.06 2207.73 2210.60 2228.15 2245.84 2249.38 2255.47 2257.38 2259.20 2269.02 2285.07 2285.64 2293.21 2303.98 2324.11 2337.67 2345.00 2347.05 2348.10 2352.02 2355.92 2359.79 2362.57 2366.45 2366.88 2369.24 2374.22 2390.19 2400.56 2560.96 2597.08 2623.28 2716.97 2851.02 2955.28 4595.71 4611.83 4620.31 4631.31 4638.70 4640.74 4655.11 4673.97 4686.68 4695.12 4699.69 4708.77 4717.83 4733.01 4738.13 4740.18 4741.03 4745.27 4749.09 4786.94 4799.93 4800.54 4807.71 4834.02 4839.07 4865.99 4882.28 4899.68 4909.45 4922.17 5307.66 5545.03 0.582792 0.610378 0.611322 0.521727 -1348.718528 -1348.690942 -1348.689998 -1348.779593 3.005031D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CC[C@]1(C(=O)N(C(=O)N1)CC(=C)C)C2CC[NH+](CC2)Cc3c(nc4ccccc4n3)C C11968484 RHF 6-31G(d) (6D,10F) C1 422.255601 |X|Y|Z| 41.996734 34.252921 134.264081 57.803969 22 6 7 17 5 |36.858105| |12.450176|36.858105| |7.336222|12.341717|36.858105| |6.347082|7.556714|12.429932|36.858105| |5.339110|6.173309|7.861684|15.982777|73.516695| |5.506495|5.633624|8.154962|14.008802|14.804603|53.358707| |5.485036|5.637467|8.127804|8.371569|9.879940|18.669447|36.858105| |4.446482|4.321741|5.461641|5.581402|7.490770|11.286781|16.056429|73.516695| |6.195627|7.617044|13.115563|8.279337|9.796752|11.660208|13.850877|14.776322|53.358707| |4.199895|4.042840|5.050743|7.564429|11.476885|17.655176|7.604897|11.717993|7.143960|36.858105| |4.245828|3.720585|4.151317|5.623409|9.180116|10.384546|5.697473|9.580493|5.792536|12.573251|36.858105| |3.745454|3.227368|3.508538|4.289079|6.885068|7.724447|5.056146|9.556371|5.169892|7.750413|14.428190|36.858105| |4.281129|3.681019|3.848796|5.208103|9.578155|7.864369|4.364352|7.046523|4.953250|7.396499|12.628140|7.653064|36.858105| |4.818383|7.439783|12.274079|7.611425|11.410109|7.521933|5.441858|7.383503|10.400179|3.990499|3.269057|2.819947|3.100693|36.858105| |3.698236|4.846918|7.423833|6.549915|10.225976|7.387166|5.242341|7.405013|8.626367|4.155910|3.224998|2.789583|2.970410|12.398667|36.858105| |2.949160|3.735310|4.852820|4.394641|7.503504|5.175507|3.716211|5.641171|5.872613|3.179141|2.591111|2.293848|2.445838|7.494945|12.512678|36.858105| |2.795631|3.547376|4.323437|3.640703|6.068158|4.400149|3.338692|5.203848|5.473605|2.703886|2.281076|2.069086|2.154010|6.415334|7.638301|12.682125|53.358707| |2.770395|3.451899|4.269151|3.560898|5.755897|4.470871|3.523900|5.586393|5.796440|2.740208|2.301933|2.113640|2.133955|5.891103|7.184668|9.334241|25.694897|0.500000| |3.174119|4.234456|4.848588|3.780067|6.274979|4.407531|3.368373|5.167228|5.810318|2.647139|2.287367|2.072690|2.194250|7.501572|6.544889|7.720496|17.230198|0.258875|36.858105| |4.179706|6.141444|7.406609|4.894777|7.603230|5.536503|4.374476|6.413083|8.434344|3.128870|2.684115|2.413470|2.545323|12.411505|7.635202|6.541968|10.388971|0.199496|12.504337|36.858105| |2.306871|2.809311|3.237857|2.868483|4.933153|3.539497|2.651607|4.258294|4.151926|2.266792|1.953760|1.791409|1.866187|4.331695|4.955123|7.634827|17.161313|0.257863|7.582576|4.940100|36.858105| |2.113252|2.521872|2.815306|2.467321|4.190455|3.114117|2.389830|3.924202|3.734900|2.009322|1.763332|1.643907|1.678951|3.545212|3.822563|4.978750|10.313022|0.203764|6.083733|4.265861|12.612578|36.858105| |1.944129|2.264544|2.540573|2.261955|3.806538|2.936234|2.283675|3.834559|3.494089|1.921130|1.688310|1.592890|1.589691|3.059790|3.377584|4.152326|7.645706|0.172026|4.503821|3.561950|7.404515|13.301848|36.858105| |1.795192|2.058610|2.256347|2.010905|3.383183|2.632043|2.060263|3.504035|3.131749|1.735027|1.547363|1.474194|1.460124|2.632159|2.809322|3.277778|5.733671|0.127596|3.716999|3.075563|5.084546|8.074482|14.733889|53.358707| |1.770669|2.031252|2.172599|1.920532|3.247605|2.489333|1.942525|3.289663|2.975778|1.636751|1.476135|1.406453|1.405928|2.523576|2.594732|2.985439|5.222051|0.111560|3.656806|3.006246|4.563281|7.149921|8.359082|19.213681|36.858105| |1.611954|1.816678|1.913337|1.705459|2.887650|2.229977|1.743093|2.984758|2.639649|1.480089|1.350534|1.297395|1.288559|2.162127|2.197014|2.451286|4.090583|0.087316|2.939368|2.532960|3.407572|4.668547|5.331559|10.830964|13.446523|36.858105| |1.564231|1.755283|1.814199|1.616136|2.750636|2.101702|1.635318|2.793950|2.478670|1.396280|1.285773|1.235694|1.236199|2.033612|2.023366|2.231755|3.670098|0.076712|2.738702|2.383622|3.005845|3.911584|4.074574|7.155094|7.948977|14.028558|36.858105| |1.646690|1.865063|1.904840|1.685138|2.883757|2.162974|1.671958|2.826556|2.558094|1.428548|1.317498|1.258614|1.276276|2.156500|2.106469|2.335166|3.871738|0.078905|2.994664|2.559353|3.178503|4.083047|3.890154|6.269281|6.836783|7.874643|13.399704|36.858105| |1.808700|2.087722|2.146151|1.880378|3.222991|2.384022|1.835496|3.066303|2.843035|1.560048|1.427060|1.352048|1.384156|2.494080|2.428167|2.753962|4.725468|0.094265|3.715494|3.021630|3.988806|5.334358|4.630427|7.041439|7.790701|6.772735|7.889284|14.038821|36.858105| |1.891908|2.205392|2.332123|2.038348|3.470830|2.592112|2.004446|3.343244|3.115320|1.688958|1.524286|1.440277|1.465147|2.768324|2.775627|3.244921|5.852173|0.118623|4.337646|3.380720|5.239556|8.390287|7.062887|10.832582|13.556025|7.814245|6.859868|7.953536|13.437575|36.858105| |2.076275|2.475247|2.664109|2.313160|3.953518|2.894558|2.217810|3.640063|3.487086|1.867211|1.664824|1.555651|1.602279|3.301732|3.343969|4.123394|8.017875|0.152962|5.817034|4.087963|8.001177|14.725862|7.984854|9.385229|7.997047|5.191836|4.617860|5.256131|7.944385|14.128777|53.358707| |1.907988|2.196441|2.524963|2.305064|3.867358|3.050930|2.369667|4.021405|3.536902|2.021948|1.755005|1.658734|1.633493|2.995187|3.495005|4.267924|7.097017|0.166886|3.926122|3.298774|6.263271|7.385213|12.616852|10.800580|5.212158|3.975558|3.168323|2.991407|3.387459|4.528258|6.880811|36.858105| |17.585251|8.738746|6.547544|6.975566|11.035592|8.221976|5.364545|7.744742|7.414966|4.805727|5.111635|4.281966|5.507377|4.442446|3.580076|2.854315|3.578839|0.071890|2.902918|3.677749|2.194742|1.990214|1.837359|2.302146|1.659466|1.512045|1.464684|1.537381|1.685495|1.766464|2.643520|1.822661|0.500000| |17.579682|8.863898|5.422015|4.753999|7.649596|5.717217|4.210927|6.423671|6.419648|3.427620|3.551697|3.229167|3.698145|4.046312|3.158639|2.629601|3.463242|0.069666|2.925907|3.723066|2.144973|1.990683|1.828585|2.321703|1.701300|1.561503|1.530228|1.619690|1.770118|1.825701|2.701930|1.776098|0.303119|0.500000| |17.567340|8.720662|6.643554|5.723046|8.178440|7.668039|6.267977|9.383124|9.277264|4.303065|4.397880|4.073158|4.142044|4.399048|3.537297|2.815405|3.675531|0.076025|3.008544|3.950902|2.230839|2.070617|1.934518|2.444714|1.762364|1.612222|1.557993|1.624923|1.771262|1.860236|2.752267|1.911952|0.301207|0.302787|0.500000| |8.901548|17.545781|8.865039|5.521085|8.276809|6.176097|4.899242|7.054647|9.385675|3.403716|3.154613|2.840722|3.076736|6.775379|4.474323|3.613145|4.955247|0.099492|4.560573|6.879793|2.884924|2.653149|2.373069|2.962496|2.172112|1.944753|1.888337|2.017615|2.262246|2.373908|3.601422|2.259363|0.173259|0.217737|0.209357|0.500000| |8.864357|17.564643|8.895935|6.791434|11.508923|6.583242|4.509060|6.361495|7.614920|3.691724|3.428455|2.937156|3.559880|7.067965|4.637180|3.736387|4.761475|0.091491|4.233139|5.721056|2.822547|2.499328|2.209958|2.727951|1.991672|1.778428|1.729256|1.855549|2.089766|2.189845|3.372896|2.128453|0.212222|0.213358|0.172610|0.303279|0.500000| |6.007409|7.006687|8.865771|5.921375|7.776787|8.358721|9.437560|13.243757|26.002518|4.282343|3.710371|3.466157|3.219781|6.188868|5.101069|3.800710|5.123684|0.112718|4.108703|5.945236|2.910833|2.704409|2.551934|3.164456|2.227764|1.992277|1.877164|1.933394|2.134164|2.323076|3.483389|2.547009|0.138201|0.132875|0.197357|0.201651|0.141567|0.500000| |3.601755|3.516919|4.400704|5.800632|8.782954|12.632306|7.330570|13.060577|6.707169|17.659150|8.876568|7.370505|5.501680|3.639197|3.952796|3.082191|3.605230|0.075944|2.539218|2.957065|2.236042|1.999341|1.941999|2.390589|1.642173|1.487934|1.395151|1.415561|1.538806|1.675516|2.507148|2.074173|0.109247|0.083539|0.105607|0.085453|0.088569|0.114730|0.500000| |3.760123|3.762244|4.680570|7.239033|12.794535|12.615671|5.774394|8.825880|6.142269|17.612803|8.849666|5.830246|7.029149|3.956450|4.258839|3.315342|3.725267|0.075749|2.644756|3.046970|2.316066|2.022181|1.921262|2.346719|1.624601|1.463800|1.380807|1.416449|1.552551|1.682959|2.549854|2.028639|0.119984|0.087287|0.102669|0.088009|0.099633|0.103007|0.301234|0.500000| |3.454908|3.063553|3.409771|4.011858|6.274634|7.432068|5.320507|11.123394|5.279440|7.117817|9.083777|17.721370|5.478024|2.777267|2.801028|2.305867|2.850736|0.060200|2.075650|2.411678|1.812188|1.673064|1.637476|2.065310|1.439053|1.328684|1.259388|1.274952|1.366052|1.462294|2.142486|1.718693|0.104879|0.082925|0.106909|0.076477|0.076488|0.099486|0.223027|0.147262|0.500000| |3.478966|2.934511|3.061163|3.616011|5.976961|6.033413|4.066620|7.630010|4.424438|5.513087|9.098592|17.711686|6.981219|2.501518|2.441745|2.051079|2.549186|0.052942|1.891630|2.182532|1.640282|1.516674|1.469891|1.864717|1.314784|1.220446|1.168436|1.191098|1.273660|1.347074|1.968505|1.521236|0.110514|0.086106|0.104479|0.072633|0.075144|0.084541|0.144917|0.126735|0.289165|0.500000| |5.267865|4.431501|4.469130|6.211946|11.896216|8.413517|4.570649|7.014780|5.425347|6.693486|8.812463|5.895086|17.555195|3.497478|3.219096|2.620727|3.139107|0.062875|2.393270|2.818742|1.979265|1.771336|1.658404|2.068167|1.470740|1.343049|1.292336|1.342997|1.464215|1.545967|2.313554|1.687452|0.205580|0.123921|0.133355|0.099096|0.121191|0.097071|0.136665|0.179948|0.127602|0.150249|0.500000| |3.932340|3.281575|3.298284|4.138957|7.496844|6.162701|3.722575|6.239612|4.323195|5.444277|8.860309|7.265520|17.593900|2.699162|2.566404|2.159997|2.638626|0.053493|1.986592|2.286060|1.698899|1.546435|1.470183|1.853140|1.316911|1.215540|1.171066|1.208024|1.302354|1.369615|2.022054|1.504695|0.137609|0.098179|0.107334|0.078081|0.088248|0.080510|0.123920|0.141437|0.143190|0.219651|0.301079|0.500000| |3.599188|3.268607|3.481355|4.719972|9.269182|6.857033|3.806010|6.169085|4.417017|6.657339|8.869937|5.995181|17.528123|2.941483|2.895155|2.426642|2.870572|0.057640|2.120715|2.407949|1.846573|1.650096|1.561975|1.947028|1.374125|1.257935|1.205547|1.244282|1.350584|1.431722|2.136588|1.612855|0.123451|0.088146|0.095483|0.076855|0.090127|0.079587|0.142766|0.204457|0.129186|0.153313|0.303936|0.301148|0.500000| |4.629978|7.038344|8.954391|6.987530|12.314769|6.594881|4.452244|6.239229|7.657813|3.704720|3.120869|2.661211|3.090768|17.540739|8.914405|6.833742|7.731397|0.136315|6.824312|8.877828|4.149058|3.346117|2.837725|3.343495|2.388441|2.056324|1.956686|2.099707|2.437485|2.660699|4.339536|2.747861|0.122461|0.111475|0.111943|0.171354|0.221347|0.132495|0.091958|0.105593|0.071473|0.066453|0.098620|0.074803|0.082731|0.500000| |3.616784|4.518323|6.731303|7.421727|12.466061|8.244264|5.222073|7.360278|7.675938|4.808074|3.577506|3.002640|3.308102|8.769979|17.593064|9.052826|7.622273|0.145901|4.916489|5.526484|4.146383|3.251448|2.930644|3.371327|2.293631|1.972636|1.827807|1.897402|2.161011|2.434426|3.920759|3.087288|0.101497|0.085362|0.095207|0.110811|0.123180|0.124077|0.124276|0.145056|0.082759|0.072269|0.099111|0.077692|0.091468|0.216207|0.500000| |3.573860|4.481068|6.837882|5.953307|8.723908|7.638865|5.989035|8.638909|9.758529|4.281769|3.275312|2.899777|2.903237|8.799558|17.540715|8.880291|9.330933|0.210028|5.695784|6.807743|4.596258|3.754418|3.478827|3.955550|2.634909|2.240598|2.040560|2.090723|2.380469|2.744950|4.400130|3.714145|0.095083|0.084432|0.099010|0.117948|0.113246|0.160342|0.118587|0.117013|0.082978|0.069821|0.085527|0.070151|0.077718|0.174105|0.302982|0.500000| |2.863724|3.622434|4.461625|4.172390|7.565060|4.760024|3.304250|5.023573|5.139342|2.984393|2.482259|2.181121|2.407703|6.735061|8.766903|17.605867|12.436131|0.182153|7.078985|5.776689|7.057977|4.583320|3.714798|4.084716|2.807307|2.325933|2.152401|2.286490|2.711033|3.122454|5.429729|3.698564|0.077856|0.071894|0.074361|0.096318|0.105205|0.093105|0.078856|0.088118|0.060065|0.054685|0.072314|0.059177|0.067063|0.200367|0.215551|0.173085|0.500000| |2.609033|3.165114|4.034721|3.856952|6.627466|4.786037|3.437641|5.382556|5.160910|3.064166|2.486249|2.221559|2.323649|5.469045|8.809878|17.624590|12.372745|0.223835|5.624285|4.902915|7.183015|4.812620|4.271932|4.521782|2.933842|2.416334|2.171258|2.232375|2.595565|3.088579|5.224047|4.750279|0.071004|0.064938|0.070228|0.084889|0.087165|0.093661|0.084559|0.089558|0.062609|0.055127|0.067865|0.057176|0.064712|0.139913|0.215191|0.215682|0.301304|0.500000| |3.072178|4.078492|4.471023|3.647257|6.331918|4.153231|3.059127|4.688371|5.108113|2.537624|2.215855|1.991770|2.170823|6.772276|5.807242|7.113732|12.456396|0.182260|17.610555|8.780251|7.014894|5.387857|3.955126|4.521037|3.334771|2.724001|2.589278|2.884828|3.597603|4.042209|7.393833|3.469540|0.079259|0.079761|0.079015|0.118885|0.119863|0.098943|0.066759|0.071589|0.054787|0.050809|0.066244|0.054633|0.058800|0.201180|0.130467|0.133074|0.216314|0.145239|0.500000| |2.879674|3.698839|4.023722|3.190745|5.291915|3.841092|2.992044|4.718637|5.076089|2.350783|2.068978|1.905104|1.983761|5.466528|4.898125|5.626663|12.353494|0.222532|17.678969|8.776459|7.130303|6.972654|4.991754|5.768092|4.348144|3.418277|3.194702|3.559799|4.577002|5.425701|10.078843|4.037927|0.072596|0.075273|0.076942|0.114344|0.101549|0.103878|0.063274|0.064678|0.053256|0.048708|0.059654|0.050507|0.053127|0.139808|0.108046|0.127429|0.145086|0.126729|0.302306|0.500000| |4.033312|5.525886|6.814555|4.565947|6.831781|5.551761|4.720171|7.087621|9.455068|3.132976|2.683236|2.460600|2.479935|8.797740|6.811218|5.701476|9.339917|0.210390|8.877791|17.516905|4.588536|4.210273|3.700461|4.397312|3.109739|2.633409|2.446448|2.573623|2.985744|3.382647|5.381660|3.470444|0.097526|0.099207|0.111646|0.176515|0.133601|0.200308|0.084249|0.082789|0.069515|0.061573|0.075050|0.062240|0.064640|0.173620|0.139031|0.198679|0.132694|0.127887|0.173168|0.214182|0.500000| |4.502588|6.817581|6.689205|4.467821|7.098717|5.036233|3.950442|5.878767|7.439804|2.890724|2.566095|2.321791|2.481538|8.742331|5.517925|4.909666|7.621116|0.146031|9.060548|17.600465|4.133608|3.747505|3.147256|3.826557|2.833834|2.438262|2.348111|2.562881|3.009222|3.233567|5.166579|2.863826|0.106415|0.115572|0.115361|0.240636|0.180750|0.153686|0.075092|0.077802|0.063824|0.059128|0.077194|0.062695|0.064723|0.213951|0.123062|0.138928|0.129639|0.108018|0.215173|0.215492|0.303566|0.500000| |2.278298|2.781712|3.120991|2.790716|4.913827|3.379551|2.484514|3.966236|3.876837|2.175750|1.895579|1.728943|1.839766|4.178070|4.530120|6.743820|12.381184|0.182159|7.253678|4.675482|17.658559|8.934099|5.590034|5.815139|4.103748|3.163207|2.890688|3.154497|4.020131|4.975608|10.373248|4.732732|0.060466|0.059404|0.060341|0.079038|0.079597|0.075315|0.058878|0.062260|0.048130|0.044223|0.054557|0.046610|0.050780|0.117576|0.108861|0.111804|0.203527|0.167897|0.221802|0.186913|0.114899|0.113438|0.500000| |2.166285|2.587447|3.022377|2.776232|4.809160|3.482495|2.582315|4.185693|3.928004|2.272947|1.944337|1.783370|1.848589|3.921159|4.785629|7.493265|12.399002|0.215532|5.608248|4.159155|17.655830|8.825533|6.951770|6.475016|4.064330|3.130542|2.735517|2.817890|3.396727|4.347522|8.006751|7.068635|0.058006|0.055700|0.058484|0.072483|0.072018|0.075642|0.062882|0.065125|0.050287|0.045243|0.053944|0.046649|0.051238|0.104402|0.116052|0.125575|0.189385|0.235386|0.147622|0.143485|0.109875|0.097254|0.300997|0.500000| |1.532496|1.710322|1.810044|1.627429|2.749829|2.150103|1.685530|2.913298|2.525034|1.437227|1.312734|1.267723|1.247000|2.020634|2.075617|2.292538|3.744281|0.081022|2.642389|2.328378|3.073174|4.048057|4.888068|9.940154|8.877087|17.749234|8.933772|5.591748|4.902399|5.603620|5.731638|3.920977|0.040070|0.041151|0.042829|0.050576|0.046282|0.052961|0.040385|0.039416|0.036216|0.033142|0.035914|0.032731|0.033836|0.053143|0.052141|0.059429|0.060033|0.063633|0.067842|0.083334|0.067901|0.061920|0.078454|0.080634|0.500000| |1.458613|1.618198|1.662695|1.491681|2.541510|1.950991|1.517804|2.609818|2.281244|1.304585|1.208985|1.167494|1.163334|1.837032|1.825228|1.986893|3.195931|0.066920|2.385528|2.124046|2.573845|3.215752|3.380382|5.761350|5.642221|9.024029|17.732739|8.826838|5.646690|4.946660|4.986963|2.760674|0.038019|0.039789|0.040476|0.048242|0.044237|0.048099|0.036266|0.035783|0.033071|0.030779|0.033685|0.030739|0.031510|0.049187|0.046200|0.051275|0.053343|0.053924|0.062993|0.075855|0.060699|0.058456|0.069067|0.066114|0.214577|0.500000| |1.579543|1.774541|1.788140|1.588860|2.730479|2.037950|1.569494|2.656330|2.391162|1.351104|1.255681|1.201556|1.222863|2.000538|1.933941|2.117089|3.433468|0.069486|2.693238|2.349470|2.766842|3.383394|3.200404|4.977002|4.934838|5.639680|8.822062|17.734295|9.019792|5.641759|5.755910|2.563042|0.040994|0.043497|0.043207|0.053339|0.049258|0.050272|0.037082|0.037207|0.033712|0.031726|0.035769|0.032282|0.033107|0.054552|0.048795|0.053095|0.058111|0.056069|0.073167|0.087399|0.065204|0.066347|0.077505|0.068775|0.123605|0.214556|0.500000| |1.868934|2.170764|2.200845|1.924235|3.323301|2.411220|1.840850|3.050531|2.863365|1.573742|1.444190|1.361661|1.412058|2.571447|2.455234|2.781005|4.718542|0.091478|3.866676|3.118992|3.927517|4.875238|4.014769|5.712361|5.591435|4.901827|5.597845|8.941051|17.741239|8.861528|9.898109|3.055461|0.048347|0.051112|0.050347|0.065461|0.061121|0.059483|0.042793|0.043634|0.037995|0.035691|0.041725|0.036906|0.038287|0.071010|0.060869|0.065760|0.077623|0.071658|0.107910|0.131828|0.083397|0.088089|0.115129|0.091810|0.106703|0.123703|0.214552|0.500000| |2.089726|2.422637|2.861568|2.600436|4.300814|3.466339|2.719867|4.600610|4.073806|2.272971|1.941473|1.828849|1.786537|3.419681|4.156504|5.028736|8.250245|0.212419|4.316160|3.723765|6.385424|6.577613|8.763039|8.190692|4.390066|3.453125|2.844755|2.734212|3.102535|4.018596|6.276336|17.514573|0.055403|0.053410|0.058443|0.068868|0.064500|0.080781|0.065191|0.063103|0.052906|0.046188|0.051239|0.045408|0.048859|0.084910|0.099998|0.127591|0.114382|0.159490|0.102797|0.119038|0.111153|0.087209|0.130719|0.200477|0.094157|0.069584|0.066022|0.079422|0.500000| 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