Version2.0 2020-07-19T07:06:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN([C@H](c1ccc(cc1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](c2ccccc2)OC C36561368 RHF 6-31G(d) (6D,7F) CCCN([C@H](c1ccc(cc1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](c2ccccc2)OC C01[X(C30H45N3O3)] 237 C1 630 CCCN([C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)N(C)C)C(=O)[C@H](c1ccccc1)OC CCCN([C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)N(C)C)C(=O)[C@H](c1ccccc1)OC CCCN([C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(cc1)N(C)C)C(=O)[C@@H](OC)c2ccccc2 InChIKey=XURURBDPSIAOFI-FTJBHMTQSA-N InChI=1S/C30H45N3O3/c1-10-20-33(28(35)26(36-9)23-14-12-11-13-15-23)25(22-16-18-24(19-17-22)32(7)8)27(34)31-30(5,6)21-29(2,3)4/h11-19,25-26H,10,20-21H2,1-9H3,(H,31,34)/t25-,26+/m1/s1 InChI=1/C30H45N3O3/c1-10-20-33(28(35)26(36-9)23-14-12-11-13-15-23)25(22-16-18-24(19-17-22)32(7)8)27(34)31-30(5,6)21-29(2,3)4/h11-19,25-26H,10,20-21H2,1-9H3,(H,31,34)/t25-,26+/m1/s1/f/h31H CCCN([C@H](c1ccc(cc1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](c2ccccc2)OC C01[X(C30H45N3O3)] 237 C01 630 CCCN([C@@H](C(=O)NC(CC(C)(C)C)(C)C)c1ccc(cc1)N(C)C)C(=O)[C@H](c1ccccc1)OC CCCN(C(=O)[C@H]([C]1[CH][CH][CH][CH][CH]1)OC)[C@H]([C]1[CH][CH][C]([CH][CH]1)N(C)C)[C]([NH]C(CC(C)(C)C)(C)C)=O CCCN([C@H]([C]1[CH][CH][C]([CH][CH]1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@@H](OC)[C]2[CH][CH][CH][CH][CH]2 InChIKey=XURURBDPSIAOFI-FTJBHMTQSA-N InChI=1S/C30H45N3O3/c1-10-20-33(28(35)26(36-9)23-14-12-11-13-15-23)25(22-16-18-24(19-17-22)32(7)8)27(34)31-30(5,6)21-29(2,3)4/h11-19,25-26H,10,20-21H2,1-9H3,(H,31,34)/t25-,26+/m1/s1 InChI=1/C30H45N3O3/c1-10-20-33(28(35)26(36-9)23-14-12-11-13-15-23)25(22-16-18-24(19-17-22)32(7)8)27(34)31-30(5,6)21-29(2,3)4/h11-19,25-26H,10,20-21H2,1-9H3,(H,31,34)/t25-,26+/m1/s1/f/h31H 4169.2808834502 -1550.1807459 1-A 20344.6011 135 495 630 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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 70 71 72 73 74 75 76 77 78 79 80 81 6 6 6 7 6 1 6 6 6 6 6 6 7 6 6 6 8 7 6 6 6 6 6 6 6 6 6 8 6 1 6 6 6 6 6 6 8 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 17001.8936 22459.2123 30762.1739 0.99992 0.01046 0.00646 -0.01033 0.99974 -0.02035 -0.00667 0.02028 0.99977 1 0.00509 0.00386 0.00282 0.10615 0.08036 0.05867 16.79 20.47 28.63 32.08 43.02 54.31 59.63 74.72 80.38 86.07 90.62 93.97 121.22 149.16 160.37 162.89 192.03 197.83 224.04 246.84 257.87 261.80 265.21 286.89 296.89 324.69 331.26 352.81 368.22 369.81 402.37 403.81 410.68 433.20 434.70 447.97 458.57 464.23 469.03 495.72 503.20 505.85 515.61 520.61 534.93 570.37 591.13 603.96 616.44 621.52 649.76 657.63 663.31 671.25 685.29 705.47 719.63 764.49 801.36 826.69 862.52 887.71 921.41 935.99 958.30 974.72 1005.79 1057.06 1115.71 1120.96 1141.62 1153.30 1160.49 1189.93 1201.45 1206.94 1232.21 1303.02 1313.85 1357.41 1362.80 1372.80 1378.86 1384.29 1386.15 1392.05 1398.54 1426.15 1450.84 1469.35 1479.48 1501.11 1509.00 1511.02 1515.23 1531.52 1568.93 1569.74 1576.24 1591.20 1593.40 1600.68 1604.00 1618.68 1620.46 1622.30 1628.91 1635.46 1659.51 1681.78 1684.33 1704.37 1745.03 1756.01 1759.25 1762.66 1801.25 1817.56 1826.23 1839.04 1841.48 1850.89 1858.14 1861.98 1877.62 1883.55 1903.90 1917.76 1926.73 1927.49 1944.26 1957.86 1967.58 1972.58 1984.27 1989.72 2008.16 2013.43 2067.96 2096.49 2104.65 2113.98 2139.13 2144.68 2145.65 2170.37 2205.83 2208.02 2233.47 2235.12 2240.84 2245.32 2246.30 2254.81 2268.54 2287.59 2288.73 2296.54 2306.74 2333.95 2335.32 2343.47 2346.10 2351.28 2351.91 2354.78 2355.96 2357.81 2360.04 2366.16 2367.50 2368.99 2374.93 2375.08 2378.45 2383.18 2386.00 2389.16 2389.96 2401.39 2402.41 2404.50 2406.24 2409.51 2444.31 2508.62 2534.41 2570.98 2607.12 2618.19 2710.21 2768.55 4523.75 4538.10 4581.74 4584.16 4596.41 4599.07 4603.21 4612.90 4615.37 4618.20 4641.16 4649.47 4676.08 4676.91 4678.56 4678.74 4679.39 4689.62 4690.26 4694.18 4696.79 4698.61 4706.05 4713.08 4729.36 4738.87 4739.14 4745.77 4763.90 4773.28 4773.37 4781.10 4789.49 4793.28 4795.53 4822.09 4827.02 4835.45 4853.45 4860.16 4871.98 4891.37 4893.70 4953.22 5563.86 0.763388 0.800281 0.801225 0.690589 -1549.417358 -1549.380465 -1549.379521 -1549.490157 3.710750D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCCN([C@H](c1ccc(cc1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](c2ccccc2)OC C36561368 RHF 6-31G(d) (6D,10F) C1 495.346093 |X|Y|Z| 102.266281 84.593685 52.250498 76.745623 16 6 7 15 1 |36.858105| |12.461221|36.858105| |7.539989|12.445387|36.858105| |4.939152|7.551094|12.999894|53.358707| |3.976680|5.468497|7.491471|17.556355|36.858105| |3.324475|4.364585|5.653654|12.739363|17.708151|0.500000| |3.717096|4.591212|6.368825|10.396060|12.493876|0.252691|36.858105| |3.275685|3.844729|5.375156|8.475377|7.671407|0.201558|13.712632|36.858105| |2.887855|3.190594|4.157283|5.947945|5.034849|0.133830|7.857295|13.768320|36.858105| |2.811184|3.020793|3.728389|5.097247|4.380789|0.112271|6.737586|7.899299|13.676469|36.858105| |3.089950|3.361746|4.043760|5.470014|4.947839|0.119876|7.895822|6.950357|7.998083|13.677004|36.858105| |3.570568|4.143536|5.117382|7.218813|7.339357|0.161118|13.692440|8.016273|6.894237|7.859129|13.774048|36.858105| |2.430999|2.527621|2.990519|4.015379|3.306898|0.086739|4.494102|5.116569|7.723933|13.489512|7.867143|5.146425|53.358707| |2.251187|2.314742|2.741839|3.673571|2.906713|0.077878|3.744515|4.503871|6.672728|7.811180|5.145870|3.930075|17.946615|36.858105| |2.128394|2.220559|2.545624|3.484876|2.919537|0.077967|3.781280|4.063341|5.391201|7.852964|6.325341|4.415700|17.854559|7.923715|36.858105| |3.885066|5.359632|5.851348|10.557234|12.387755|0.249702|7.302923|4.945691|3.794311|3.607915|4.303125|6.246582|3.896811|2.491176|2.635750|36.858105| |4.193617|5.559548|5.510263|8.227642|7.894464|0.164578|6.308822|4.339165|3.543493|3.560447|4.464861|6.470386|3.904059|2.456220|2.657542|15.778837|73.516695| |3.245274|4.311211|4.498786|8.170802|7.926132|0.218856|5.187369|4.013677|3.185490|2.995929|3.412621|4.492238|3.352610|2.191585|2.318677|14.168932|14.986857|53.358707| 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|3.320395|4.432501|5.301596|11.539020|7.111017|0.240187|4.771347|4.448020|3.372675|2.883087|2.974240|3.632211|3.249233|2.247526|2.158572|5.732367|7.666522|8.403588|4.500363|4.100873|3.450885|4.354025|3.857165|4.339017|3.554161|2.990900|15.768517|73.516695| |4.141139|5.377194|6.463589|10.358024|4.965628|0.136150|3.947952|3.884519|3.113512|2.676683|2.704751|3.162101|3.088740|2.195048|2.001329|4.086960|6.256045|5.311337|3.201956|3.265240|2.629329|3.015592|2.663842|2.824979|2.542103|2.223242|12.327008|14.266685|36.858105| |5.137044|6.686026|7.370502|9.667469|4.599090|0.118951|3.767590|3.616761|2.967994|2.615659|2.679052|3.123228|3.038576|2.150836|1.962471|3.956214|6.329291|4.989227|3.086755|3.273411|2.568675|2.838036|2.469336|2.565666|2.340853|2.100292|8.757293|10.600352|17.586806|0.500000| 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|17.561284|8.789539|5.484602|5.545258|3.425868|0.081419|3.171791|2.800066|2.504384|2.468829|2.722728|3.109007|2.958074|2.015238|1.939576|3.512787|6.856126|4.125608|2.809264|3.245115|2.564000|2.391110|2.044860|2.037119|1.871921|1.864047|3.551468|5.298498|3.602211|0.121887|3.089048|3.164821|2.653009|2.296487|2.265459|2.558447|5.508608|3.231696|0.500000| |17.524825|8.749172|6.810517|6.228600|3.600078|0.086100|3.410089|3.148802|2.807804|2.684611|2.852687|3.205597|3.200249|2.227092|2.043694|3.376298|6.229647|3.946327|2.581580|2.837600|2.331847|2.251718|1.969755|2.011350|1.821026|1.774958|3.993201|5.702285|4.328692|0.154346|3.865575|4.220914|3.422582|2.821197|2.705413|3.049789|6.241254|3.433479|0.301809|0.500000| |17.542571|8.773958|6.850949|6.224585|3.920791|0.090125|3.901226|3.416330|3.086504|3.091251|3.456706|3.927696|3.642935|2.445502|2.321159|3.809423|7.549606|4.232124|2.764986|3.010962|2.582923|2.326556|2.034717|2.084640|1.837151|1.861648|3.684990|5.414608|3.589451|0.117249|3.240190|3.378054|2.877202|2.485262|2.426611|2.703914|5.249221|2.917242|0.302020|0.301535|0.500000| |8.855180|17.522770|8.808712|9.367569|4.871199|0.114631|3.930996|3.409554|2.838333|2.651063|2.885739|3.485503|3.066363|2.094974|2.004220|4.853806|8.492619|5.767422|3.686491|4.284424|3.071830|3.129823|2.587021|2.593935|2.364791|2.244823|6.219537|8.428385|6.233510|0.231893|4.480561|4.163190|3.220698|2.801121|2.890457|3.510241|8.867510|5.337713|0.212741|0.210311|0.172924|0.500000| |8.849718|17.603355|8.894714|9.349334|5.759251|0.124570|4.737831|3.755834|3.126403|3.038428|3.511348|4.470832|3.447388|2.273355|2.262437|6.476702|13.215733|6.772505|4.278271|4.946681|3.717309|3.335612|2.736678|2.754490|2.398723|2.425449|5.217177|7.575360|4.479613|0.142602|3.582634|3.353602|2.757880|2.474353|2.560150|3.012725|6.554109|3.844825|0.212500|0.172700|0.210713|0.303710|0.500000| |6.887669|8.899920|17.660474|12.611272|7.441528|0.150862|7.763413|6.220130|4.889301|4.518371|5.069842|6.564548|4.773409|3.126485|2.913070|5.772756|10.289044|5.773447|3.365287|3.373072|3.052338|2.790316|2.470822|2.659874|2.182360|2.193672|5.754793|7.876542|4.850331|0.145869|4.426830|4.283906|3.551456|3.149278|3.201310|3.704323|6.463997|3.361239|0.141046|0.167929|0.205019|0.173933|0.215932|0.500000| |6.974001|8.801079|17.616788|12.415695|5.716045|0.132731|5.247990|5.003109|4.025322|3.521404|3.623680|4.276772|3.942033|2.744764|2.438232|4.476635|7.471837|5.033995|3.010224|3.089910|2.635717|2.629139|2.331405|2.487768|2.131537|2.037171|7.008352|8.667898|7.204835|0.241003|6.596748|6.670453|4.839935|3.967174|3.948398|4.765892|8.478996|4.136985|0.141397|0.206580|0.173271|0.207177|0.173880|0.307030|0.500000| |3.156767|3.747698|5.287275|8.932122|7.209791|0.213234|8.917735|17.693993|8.983669|5.643257|4.990372|5.673428|5.656854|3.930769|3.418572|4.588119|6.916226|5.354893|3.017324|2.718330|2.745364|2.733142|2.645451|3.134473|2.368278|2.302369|5.619004|9.155336|4.460992|0.110309|4.908077|4.271539|3.960278|4.101215|4.651151|5.176690|6.309732|3.020012|0.075199|0.086207|0.088698|0.095588|0.099030|0.154715|0.143946|0.500000| |2.607385|2.832647|3.617834|5.159484|4.139888|0.114454|5.634700|8.990002|17.755370|8.863977|5.658074|4.966653|9.514873|7.470339|5.011204|3.206869|5.306555|3.803320|2.312467|2.118822|2.229470|2.109951|2.085910|2.414604|1.886602|1.905921|3.323543|5.542994|2.952651|0.077573|3.285506|3.205595|3.255801|3.395779|3.488173|3.427103|4.438590|2.207950|0.063355|0.071876|0.076496|0.071480|0.076023|0.113233|0.101202|0.219321|0.500000| |2.894491|3.057262|3.489092|4.617379|4.040141|0.099129|5.641528|4.993595|5.671026|8.920029|17.729045|8.972826|9.865365|4.724423|6.622455|3.775598|7.264230|4.175207|2.651266|2.449743|2.794442|2.250642|2.159856|2.387731|1.866820|2.072611|2.769319|4.612786|2.391207|0.066521|2.360643|2.302757|2.180841|2.117056|2.159589|2.277609|3.676212|1.969367|0.072278|0.073836|0.091047|0.073279|0.089878|0.118776|0.087464|0.108184|0.124081|0.500000| |3.686136|4.295825|4.878779|6.747961|6.722234|0.145703|8.911466|5.679184|4.969805|5.631777|8.979432|17.799463|5.708194|3.295891|3.813033|7.011630|15.114718|6.604286|3.932451|3.557362|4.113939|3.072524|2.813039|3.091559|2.337498|2.626611|3.738640|6.166675|3.006572|0.083765|2.789076|2.611804|2.355468|2.257881|2.367126|2.626849|4.547247|2.481693|0.091095|0.089150|0.113068|0.099663|0.136811|0.168091|0.110349|0.124372|0.107868|0.218191|0.500000| |2.098090|2.188576|2.597557|3.577133|2.847113|0.078294|3.598663|4.459334|6.512010|6.642936|4.517199|3.632231|12.164669|17.441113|6.926622|2.424135|4.173517|2.951543|1.881005|1.740511|1.870824|1.734826|1.736879|1.970636|1.585237|1.636983|2.367473|4.027619|2.174761|0.058376|2.367461|2.372953|2.462901|2.556561|2.547799|2.449217|3.401308|1.738952|0.052402|0.057834|0.062287|0.055733|0.059681|0.080516|0.072429|0.111874|0.226361|0.113174|0.084888|0.500000| |2.070909|2.096921|2.422595|3.215358|2.518892|0.067470|3.136205|3.601946|4.860121|5.720513|4.283833|3.344743|12.554848|17.580108|7.325031|2.216599|3.930160|2.681277|1.740097|1.637589|1.750652|1.591493|1.575553|1.749557|1.438435|1.501979|2.109742|3.548676|1.966233|0.053895|2.106870|2.154847|2.222365|2.238089|2.182712|2.119132|3.085259|1.600104|0.052079|0.057011|0.062598|0.052991|0.057379|0.075965|0.067473|0.089306|0.146061|0.116107|0.080730|0.301135|0.500000| |2.434265|2.477912|2.980373|3.907712|2.998826|0.079561|3.841829|4.730594|6.897786|7.192923|4.897102|3.906230|12.450546|17.602609|5.704423|2.527051|4.419233|3.006744|1.909220|1.803011|1.880900|1.736780|1.700600|1.898066|1.552512|1.591928|2.528075|4.163158|2.362512|0.064666|2.590395|2.683754|2.787350|2.785705|2.679292|2.587517|3.618907|1.843887|0.059852|0.067775|0.073635|0.062064|0.066472|0.094787|0.084689|0.116595|0.222796|0.121932|0.090742|0.299740|0.302144|0.500000| |2.184555|2.288899|2.587670|3.544734|3.027860|0.079891|3.917919|3.956523|4.910719|7.258635|7.135457|4.867555|12.373897|5.699862|17.644073|2.810740|5.133288|3.339954|2.174083|1.985192|2.299434|1.930978|1.922749|2.151987|1.691433|1.876038|2.256843|3.874668|1.993740|0.054535|2.020864|1.976044|1.932988|1.930886|1.970910|2.016706|3.144567|1.674244|0.055597|0.057468|0.066498|0.057088|0.065853|0.082716|0.067598|0.091385|0.120491|0.234705|0.120139|0.141034|0.148047|0.127309|0.500000| |1.977202|2.028432|2.287715|3.089685|2.526755|0.067510|3.156478|3.368204|4.300101|5.729402|4.875023|3.620549|12.477583|7.278787|17.577323|2.313904|4.178515|2.801291|1.840687|1.708335|1.911123|1.667663|1.664244|1.848528|1.495284|1.618682|2.010425|3.438795|1.826646|0.050055|1.891226|1.884403|1.886494|1.894648|1.900031|1.898153|2.897363|1.531867|0.050436|0.053063|0.059958|0.051125|0.057174|0.072014|0.061503|0.081149|0.115690|0.146806|0.089798|0.172970|0.225880|0.147756|0.302474|0.500000| |1.989962|2.102666|2.416700|3.390187|2.863383|0.078481|3.640052|4.004519|5.240292|6.699661|5.355568|4.052815|12.215204|6.980978|17.446429|2.572370|4.518411|3.138160|2.028709|1.838098|2.100765|1.849385|1.875959|2.137746|1.673709|1.814813|2.216263|3.854670|1.972022|0.053102|2.045714|1.993718|1.989862|2.036681|2.090577|2.095296|3.129580|1.643400|0.050533|0.053285|0.059389|0.053341|0.059435|0.075388|0.064480|0.095747|0.141080|0.146330|0.097338|0.201534|0.175027|0.141640|0.300954|0.300077|0.500000| |3.081264|4.077455|4.423965|8.571602|7.844076|0.255986|4.997859|4.096721|3.199575|2.914615|3.201562|4.096582|3.271172|2.175444|2.249435|9.604157|10.953421|26.039829|9.016774|6.239746|5.803598|7.716429|6.145236|6.950216|4.717224|4.394937|6.483172|14.734461|4.355704|0.108663|3.554625|2.919824|2.514360|2.491784|2.851537|3.486213|7.215757|4.128158|0.079342|0.078402|0.081066|0.114738|0.123418|0.112636|0.104165|0.116848|0.079258|0.079016|0.116518|0.060475|0.054112|0.061179|0.065126|0.055528|0.062785|0.500000| |3.741693|4.797395|4.044887|5.903691|4.531427|0.111814|3.589691|2.894718|2.466319|2.431399|2.809997|3.494810|2.835184|1.864516|1.968207|6.724023|13.457063|9.575149|8.778588|17.620513|6.928601|5.539306|3.917396|3.533626|3.233373|3.493980|3.955663|6.900466|3.276998|0.093798|2.665107|2.398446|2.066218|1.953879|2.089004|2.432600|5.463519|3.450283|0.105217|0.088204|0.097262|0.133886|0.173215|0.105450|0.092948|0.077474|0.061050|0.074208|0.111854|0.050153|0.047689|0.052659|0.058294|0.049857|0.053043|0.152828|0.500000| |2.840749|3.427685|3.039827|4.525962|3.477567|0.092163|2.844700|2.404738|2.090152|2.052328|2.310433|2.756374|2.445071|1.629819|1.726868|4.653209|8.413104|7.612596|8.770710|17.547668|6.986719|6.933449|4.541801|3.674340|3.806543|4.147285|3.256816|6.010598|2.794588|0.078114|2.317169|2.079445|1.822203|1.750302|1.884369|2.171866|4.918427|3.174725|0.080771|0.070034|0.074070|0.099384|0.111753|0.079370|0.073533|0.065559|0.052781|0.061555|0.085344|0.044343|0.042024|0.045708|0.050895|0.044100|0.047143|0.132881|0.301289|0.500000| |3.358159|4.356526|3.814970|5.921594|4.272218|0.113017|3.252847|2.746245|2.315080|2.211573|2.457142|2.989579|2.593893|1.743473|1.794825|5.614252|9.236283|9.507721|8.756717|17.541932|5.513050|7.141242|4.530670|3.892213|3.935284|3.712282|4.452723|8.222871|3.720858|0.103524|2.904358|2.532425|2.157273|2.055361|2.239075|2.665314|6.597626|4.470861|0.093541|0.083075|0.084368|0.134174|0.139479|0.094503|0.091120|0.076529|0.058455|0.063862|0.090143|0.047534|0.044518|0.049485|0.052251|0.045594|0.049035|0.176013|0.300690|0.301061|0.500000| |2.433694|2.901476|2.932815|4.616871|4.257095|0.118379|3.701462|3.027197|2.640794|2.648460|3.073343|3.733658|3.095729|1.992425|2.264939|5.867057|10.017106|9.723392|8.754687|5.516200|17.605726|6.496746|6.124897|5.895402|4.105429|6.426077|3.137804|6.016387|2.526434|0.067651|2.238124|1.998633|1.805947|1.788855|1.953401|2.203259|4.249352|2.478026|0.065260|0.060846|0.067353|0.077674|0.092599|0.082139|0.070540|0.079403|0.065137|0.081569|0.117502|0.054841|0.050793|0.054175|0.068609|0.056280|0.063059|0.157634|0.142869|0.140723|0.122851|0.500000| |2.366164|2.778858|2.662499|4.041645|3.425819|0.093307|2.957995|2.481841|2.194709|2.202150|2.519444|2.981900|2.630235|1.721334|1.913523|4.626056|8.402058|7.622718|8.811399|6.796613|17.557574|6.890422|5.614850|4.534846|4.065411|6.267851|2.817462|5.327173|2.357681|0.064281|2.056947|1.854331|1.668202|1.635671|1.768870|1.994675|4.059916|2.452432|0.065301|0.058953|0.064535|0.076202|0.089372|0.073069|0.064670|0.066134|0.055002|0.068014|0.093858|0.047117|0.044411|0.047258|0.057457|0.048469|0.052784|0.128210|0.165600|0.204200|0.140078|0.300790|0.500000| |2.855094|3.413378|3.258316|4.878595|4.317225|0.110398|3.742040|2.967495|2.593465|2.648208|3.165792|3.925697|3.092496|1.978707|2.225672|6.519602|13.651516|9.301812|8.819847|7.154275|17.633341|5.429766|4.407055|4.100477|3.316502|4.386795|3.194044|5.808920|2.607912|0.072071|2.266866|2.055925|1.834612|1.778793|1.908981|2.161193|4.322373|2.568207|0.077838|0.069268|0.079259|0.089815|0.115257|0.091690|0.076518|0.076749|0.063393|0.085554|0.132184|0.053440|0.050680|0.054420|0.067822|0.055757|0.060410|0.141289|0.214458|0.179524|0.143504|0.302757|0.301112|0.500000| |2.555445|3.187728|3.154846|5.289630|4.123223|0.123457|3.153475|2.763342|2.321632|2.172475|2.351203|2.812301|2.553842|1.730558|1.792361|4.959209|7.320930|10.124986|8.974336|7.126992|5.480418|17.502898|8.874627|6.546955|7.548235|5.501975|4.273173|9.250153|3.450589|0.088692|2.829723|2.391340|2.090702|2.072273|2.338200|2.781587|6.387528|4.043999|0.068916|0.065836|0.066258|0.094609|0.095764|0.080108|0.078170|0.079063|0.059433|0.060399|0.081619|0.048183|0.043997|0.048552|0.051811|0.045265|0.050109|0.234781|0.145495|0.170380|0.219935|0.137517|0.140641|0.123967|0.500000| |2.307150|2.770306|2.661320|4.199321|3.335327|0.095734|2.718380|2.371343|2.055514|1.979420|2.171178|2.553014|2.364676|1.591809|1.688068|4.167499|6.744505|7.757167|8.950451|7.492899|6.607858|17.535550|8.920676|5.464932|7.051695|7.105489|3.192563|6.404143|2.696611|0.071773|2.285217|2.002796|1.781119|1.757951|1.939352|2.234721|4.909485|3.095082|0.063589|0.058895|0.060718|0.080494|0.085216|0.069583|0.066051|0.066099|0.052590|0.057103|0.076031|0.044097|0.040906|0.044289|0.049332|0.042937|0.047040|0.151795|0.147816|0.224152|0.190898|0.154718|0.199218|0.140078|0.306147|0.500000| |2.261705|2.756752|3.001660|5.262120|4.557348|0.158718|3.643632|3.338870|2.775431|2.521495|2.649583|3.126027|2.933054|1.990895|2.078097|4.719624|6.620878|8.672330|5.467274|4.000316|4.442022|6.709184|8.721438|17.534082|6.947725|5.491669|4.192960|9.741401|3.258537|0.080084|2.912087|2.427302|2.192306|2.266526|2.645854|3.090678|5.773765|3.217025|0.059111|0.059377|0.060505|0.077850|0.080389|0.079188|0.075859|0.097704|0.071583|0.066465|0.086148|0.056821|0.049927|0.055043|0.059507|0.051625|0.059767|0.229812|0.097369|0.098058|0.111571|0.134871|0.108580|0.103683|0.192539|0.138116|0.500000| |1.922469|2.262607|2.419992|3.994761|3.449056|0.112151|3.008616|2.797350|2.445399|2.288058|2.401956|2.733390|2.730856|1.851490|1.991699|3.654815|5.526165|6.206772|4.421992|3.318452|4.133864|5.410604|8.813049|17.536044|7.051716|7.007037|3.049840|6.498799|2.511713|0.063489|2.316283|2.001832|1.851473|1.921572|2.194296|2.456666|4.454150|2.501152|0.050834|0.050515|0.052177|0.063120|0.066405|0.065533|0.061802|0.079595|0.063685|0.061648|0.076081|0.053125|0.046984|0.050394|0.057394|0.049798|0.057949|0.140075|0.082027|0.085949|0.089056|0.133281|0.106522|0.095588|0.137890|0.123522|0.302598|0.500000| |2.250016|2.710531|2.922059|4.942414|4.638324|0.151184|3.913055|3.417843|2.898605|2.737710|2.979234|3.551634|3.171274|2.093015|2.298599|5.260269|7.606562|9.463549|6.231235|4.160408|5.928034|6.555086|8.700253|17.586755|5.508204|6.836999|3.588508|7.532717|2.806997|0.071570|2.537978|2.190601|1.995518|2.037513|2.307221|2.623508|4.792183|2.693427|0.059007|0.058061|0.061485|0.074125|0.081580|0.080080|0.072297|0.094274|0.072992|0.075626|0.100756|0.059307|0.052593|0.056916|0.067380|0.056572|0.066127|0.201486|0.103913|0.103034|0.106874|0.210668|0.137612|0.132435|0.155856|0.138058|0.301308|0.302114|0.500000| |1.865118|2.177826|2.169723|3.427477|2.679541|0.080440|2.268396|2.080569|1.834114|1.741877|1.849144|2.102490|2.115512|1.451762|1.521318|3.009177|4.798600|5.199372|4.509537|3.894356|3.863951|7.090733|8.719673|5.515378|17.531065|6.942172|2.711540|5.612994|2.376586|0.061720|2.091828|1.827492|1.660061|1.677037|1.874375|2.124874|4.483926|2.746868|0.050970|0.048979|0.049302|0.063473|0.064134|0.056893|0.055773|0.059336|0.048035|0.048510|0.060420|0.040828|0.037443|0.040263|0.043835|0.038928|0.043057|0.112850|0.088969|0.110653|0.109685|0.104918|0.112600|0.088772|0.190581|0.214413|0.141136|0.142663|0.122344|0.500000| |1.757923|2.043569|2.100455|3.359786|2.690067|0.083299|2.322208|2.170694|1.922571|1.811973|1.898586|2.136631|2.204262|1.517677|1.596591|2.908006|4.564599|4.931676|3.919870|3.225498|3.513677|5.537962|8.748023|6.977309|17.542986|7.064538|2.653328|5.584646|2.303175|0.058882|2.086147|1.815758|1.672572|1.719651|1.944183|2.178759|4.289930|2.516242|0.047411|0.046480|0.046961|0.058661|0.059601|0.055709|0.054373|0.062307|0.050704|0.049519|0.060357|0.043159|0.039031|0.041802|0.045794|0.040696|0.045782|0.109947|0.076944|0.088089|0.089633|0.102122|0.098326|0.081612|0.148394|0.143828|0.171660|0.212615|0.141860|0.301711|0.500000| |2.002528|2.381296|2.442044|4.004441|3.114966|0.097525|2.569198|2.387561|2.063724|1.914512|2.006270|2.299815|2.298756|1.586761|1.634403|3.352421|5.106899|5.907206|4.584172|3.838920|3.685055|6.987589|8.718812|6.963867|17.543642|5.525836|3.303129|7.265372|2.837029|0.071351|2.488130|2.113402|1.909210|1.951850|2.235905|2.583497|5.437491|3.258679|0.053832|0.053025|0.052647|0.069836|0.068945|0.063214|0.063093|0.069696|0.054251|0.051720|0.064765|0.044934|0.040550|0.044213|0.046678|0.041539|0.046500|0.140065|0.089035|0.101324|0.112858|0.102401|0.099724|0.086184|0.227372|0.169605|0.208436|0.173810|0.141075|0.301399|0.301680|0.500000| |1.961991|2.282089|2.310758|3.621950|3.128619|0.091794|2.767673|2.430247|2.168614|2.138377|2.360470|2.709593|2.576833|1.706060|1.907311|3.774843|6.237815|6.390309|5.767890|4.149761|7.039749|6.490986|8.668912|6.912486|5.518520|17.618161|2.616013|5.183767|2.189059|0.057855|1.969863|1.756278|1.609809|1.619342|1.781560|1.985680|3.828270|2.243616|0.053106|0.050303|0.053694|0.062942|0.069898|0.063542|0.057659|0.065945|0.055268|0.062891|0.080582|0.047708|0.043927|0.046295|0.056644|0.048131|0.054095|0.121788|0.101231|0.115382|0.100606|0.243462|0.209733|0.143863|0.134331|0.168325|0.139927|0.174054|0.203777|0.140278|0.143719|0.122381|0.500000| |1.744156|2.009461|2.051538|3.220547|2.691423|0.081007|2.393937|2.182227|1.962206|1.903881|2.041164|2.292608|2.323278|1.568458|1.717845|3.047121|4.947300|5.083890|4.275581|3.341055|4.445392|5.438081|8.797558|6.898645|7.173076|17.537715|2.407322|4.861159|2.060040|0.053822|1.876721|1.667121|1.541843|1.569771|1.740680|1.926505|3.689103|2.153763|0.047203|0.045447|0.047404|0.056247|0.060032|0.055813|0.052265|0.060567|0.050999|0.054103|0.066242|0.044329|0.040508|0.042645|0.050190|0.043674|0.049224|0.104337|0.081226|0.093396|0.086276|0.138923|0.130271|0.099420|0.124267|0.145264|0.141311|0.209570|0.167593|0.175959|0.219408|0.144475|0.303186|0.500000| |1.856746|2.145772|2.124687|3.291186|2.700129|0.078784|2.355484|2.103882|1.881093|1.838995|2.001803|2.276731|2.238728|1.506015|1.640672|3.201128|5.325356|5.437843|5.166138|4.142401|5.427520|6.893977|8.734089|5.496676|6.894198|17.531977|2.449179|4.866782|2.106984|0.055886|1.877018|1.674282|1.530407|1.534716|1.685943|1.883540|3.789649|2.277970|0.050930|0.047916|0.050102|0.060566|0.065092|0.057349|0.053643|0.058057|0.048547|0.053429|0.067249|0.042069|0.039001|0.041255|0.048175|0.041888|0.046308|0.107249|0.096908|0.123072|0.103834|0.152474|0.179388|0.116681|0.144519|0.218447|0.122353|0.141804|0.139973|0.205053|0.171279|0.140267|0.301866|0.302028|0.500000| |4.327759|4.519224|5.337434|6.337901|3.487073|0.091603|3.267887|3.422324|2.999835|2.614296|2.550776|2.792612|3.126525|2.304850|1.975698|2.930033|4.870227|3.639592|2.303842|2.374383|2.028737|2.145470|1.954430|2.065161|1.869027|1.715915|4.902100|6.884389|6.981353|0.226176|8.911490|17.700646|8.929929|5.653494|4.960909|5.646217|9.316107|4.164113|0.101707|0.145554|0.106954|0.130599|0.100761|0.124775|0.207565|0.105012|0.081867|0.063593|0.072608|0.062299|0.057969|0.071572|0.053661|0.051077|0.053187|0.077944|0.068525|0.058730|0.071517|0.054682|0.051414|0.057409|0.064821|0.055021|0.063370|0.052690|0.058108|0.049324|0.048326|0.056115|0.047634|0.044847|0.045612|0.500000| |2.942906|2.971416|3.493261|4.443455|2.738559|0.074523|2.745075|3.071318|2.891797|2.494494|2.315278|2.402803|3.105472|2.412359|1.954293|2.306183|3.855760|2.905524|1.864874|1.869305|1.690905|1.770085|1.670297|1.791230|1.612576|1.491754|3.369830|5.208906|4.084382|0.113999|5.635388|8.915700|17.715935|8.915403|5.646787|4.952452|6.232663|2.875224|0.071930|0.093623|0.078288|0.082432|0.071480|0.091011|0.120075|0.094982|0.083937|0.058097|0.061291|0.066239|0.061148|0.076353|0.051783|0.051224|0.053076|0.062272|0.053381|0.047158|0.055026|0.046488|0.043247|0.047593|0.052620|0.045600|0.054521|0.046815|0.050411|0.042410|0.042571|0.048068|0.041474|0.039654|0.039499|0.215929|0.500000| |2.307912|2.432934|2.886410|4.008424|2.616136|0.074732|2.641379|3.086417|2.946617|2.464459|2.223334|2.281001|3.095332|2.461600|1.977796|2.180560|3.567643|2.814930|1.800203|1.751481|1.638383|1.748452|1.698669|1.862461|1.657533|1.513125|3.133916|5.171854|3.541115|0.090785|4.935720|5.644980|8.919170|17.714372|8.900162|5.641157|5.703932|2.604294|0.057443|0.069490|0.062252|0.067593|0.060941|0.076602|0.092261|0.099593|0.089727|0.055401|0.057463|0.070651|0.061936|0.076314|0.051705|0.051620|0.055195|0.061486|0.049093|0.044368|0.051250|0.045823|0.041960|0.045400|0.051944|0.044710|0.057218|0.049508|0.052002|0.043067|0.044401|0.049662|0.041854|0.040768|0.039671|0.124269|0.214722|0.500000| |2.251358|2.502644|3.004446|4.573176|3.052757|0.092610|2.954515|3.467711|3.126516|2.546911|2.325126|2.455523|3.105087|2.391054|2.024738|2.496993|3.936519|3.322726|2.087345|1.976814|1.864859|2.075469|2.053559|2.312522|2.023816|1.786258|3.817097|6.742873|4.094050|0.096384|5.638643|4.961861|5.650827|8.905334|17.714538|8.938296|6.845880|3.016597|0.056325|0.065588|0.060148|0.070518|0.063938|0.078311|0.091687|0.119121|0.093692|0.057165|0.061742|0.070195|0.059285|0.071443|0.053490|0.051852|0.057711|0.075172|0.054266|0.049690|0.058215|0.052679|0.047488|0.050669|0.062537|0.052162|0.073273|0.061691|0.063518|0.051576|0.054402|0.061811|0.048886|0.048372|0.046221|0.107656|0.124113|0.214637|0.500000| |2.722816|3.243264|3.962324|6.749195|4.227567|0.134290|3.646350|4.005803|3.268369|2.677906|2.567286|2.880818|3.128981|2.287873|2.050289|3.361196|5.044350|4.590691|2.773207|2.610678|2.354950|2.774045|2.670402|3.020892|2.619945|2.217655|6.732370|12.693330|7.039948|0.141256|8.921910|5.657811|4.954300|5.639438|8.914749|17.739198|11.853976|4.634812|0.067711|0.077800|0.070679|0.094395|0.082499|0.097041|0.117391|0.141233|0.090922|0.062450|0.073471|0.065595|0.056410|0.067529|0.055619|0.051737|0.057899|0.109507|0.070523|0.063924|0.079077|0.065723|0.059084|0.063144|0.086956|0.067958|0.100677|0.077513|0.081603|0.065833|0.068344|0.082661|0.060052|0.058903|0.057042|0.124233|0.107546|0.124036|0.215241|0.500000| |2.876136|3.424860|3.351038|5.081358|3.105592|0.088479|2.543649|2.440765|2.088131|1.888907|1.938169|2.209079|2.268207|1.612244|1.532356|3.011384|4.778279|4.393394|3.009614|3.231229|2.426275|3.131266|2.723086|2.665683|2.821645|2.254334|4.847231|8.791041|5.858418|0.149916|4.392335|3.619904|2.971928|2.821262|3.147179|3.944232|16.938186|17.630289|0.077210|0.081090|0.069850|0.115041|0.088312|0.078536|0.093898|0.073926|0.055720|0.049481|0.060950|0.044720|0.041182|0.046971|0.042851|0.039480|0.042340|0.099821|0.084149|0.081099|0.109103|0.063365|0.063414|0.064691|0.105044|0.081946|0.084012|0.066714|0.069595|0.076447|0.069699|0.090629|0.059267|0.058147|0.061349|0.099401|0.073360|0.068264|0.079617|0.116914|0.500000| 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