Version2.0 2020-07-29T19:51:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@H](CNC(=O)CCN2C(=O)C3(CCCC3)NC2=O)C4=c5ccccc5=[NH+]C4 C63818954 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@H](CNC(=O)CCN2C(=O)C3(CCCC3)NC2=O)C4=c5ccccc5=[NH+]C4 C01[X(C28H34N5O3)] 204 C1 608 O=C(NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccc(cc1)N(C)C)CCN1C(=O)NC2(C1=O)CCCC2 O=C(NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccc(cc1)N(C)C)CCN1C(=O)NC2(C1=O)CCCC2 CN(C)c1ccc(cc1)[C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C4=C5C=CC=CC5=[NH+]C4 InChIKey=WZDDBXGKPIDCHA-QFIPXVFZSA-O InChI=1S/C28H33N5O3/c1-32(2)20-11-9-19(10-12-20)22(23-18-29-24-8-4-3-7-21(23)24)17-30-25(34)13-16-33-26(35)28(31-27(33)36)14-5-6-15-28/h3-4,7-12,22H,5-6,13-18H2,1-2H3,(H,30,34)(H,31,36)/p+1/t22-/m0/s1 InChI=1/C28H33N5O3/c1-32(2)20-11-9-19(10-12-20)22(23-18-29-24-8-4-3-7-21(23)24)17-30-25(34)13-16-33-26(35)28(31-27(33)36)14-5-6-15-28/h3-4,7-12,22H,5-6,13-18H2,1-2H3,(H,30,34)(H,31,36)/p+1/t22-/m0/s1/fC28H34N5O3/h29-31H/q+1 CN(C)c1ccc(cc1)[C@H](CNC(=O)CCN2C(=O)C3(CCCC3)NC2=O)C4=c5ccccc5=[NH+]C4 C01[X(C28H34N5O3)] 204 C01 608 O=C(NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccc(cc1)N(C)C)CCN1C(=O)NC2(C1=O)CCCC2 O=C(NC[C@H](C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[C]1[CH][CH][C]([CH][CH]1)N(C)C)CCN1C(=O)NC2(C1=O)CCCC2 CN(C)[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C4=C5C=CC=C[C]5NC4 InChIKey=YHZPDXFIBQXFDQ-QFIPXVFZSA-N InChI=1S/C28H34N5O3/c1-32(2)20-11-9-19(10-12-20)22(23-18-29-24-8-4-3-7-21(23)24)17-30-25(34)13-16-33-26(35)28(31-27(33)36)14-5-6-15-28/h3-4,7-12,22,29H,5-6,13-18H2,1-2H3,(H,30,34)(H,31,36)/t22-/m0/s1 InChI=1/C28H34N5O3/c1-32(2)20-11-9-19(10-12-20)22(23-18-29-24-8-4-3-7-21(23)24)17-30-25(34)13-16-33-26(35)28(31-27(33)36)14-5-6-15-28/h3-4,7-12,22,29H,5-6,13-18H2,1-2H3,(H,30,34)(H,31,36)/t22-/m0/s1/f/h30-31H 3818.5303605360 -1576.8270611 1-A 27101.7560 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63420 -20.63351 -20.60835 -15.74798 -15.69546 -15.69371 -15.66695 -15.65316 -11.46327 -11.45750 -11.45587 -11.44810 -11.42595 -11.40774 -11.39592 -11.38279 -11.38088 -11.37476 -11.37180 -11.36786 -11.36634 -11.36369 -11.35912 -11.35834 -11.33338 -11.33013 -11.32825 -11.32714 -11.32693 -11.32688 -11.30975 -11.30850 -11.30534 -11.30502 -11.29685 -11.29628 -1.51429 -1.50203 -1.48332 -1.45374 -1.38452 -1.34768 -1.34147 -1.30951 -1.28166 -1.25851 -1.22633 -1.19821 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0.8426 0.3331 0.4174 0.8477 0.7668 0.5636 0.6600 0.3331 0.5501 0.4544 0.5261 0.6100 0.6380 0.7389 0.3378 0.8571 0.6710 0.4224 0.4301 0.4724 0.1622 0.2466 0.3834 0.6958 0.3114 0.6697 0.7233 0.2811 0.2335 0.0186 0.8387 0.3583 0.8208 0.2920 0.8251 0.2056 0.8571 0.3043 0.7727 0.7362 0.8571 0.6847 0.4548 0.5989 0.7384 0.5919 0.8053 0.7642 0.7784 0.4513 0.8254 0.6990 0.8219 0.8246 0.8571 0.8303 0.6473 0.8564 0.8491 0.5637 0.7783 0.8570 0.8553 0.4964 0.7591 0.8553 0.8554 0.3140 0.1349 0.2045 0.7899 0.4565 0.7521 0.5131 0.5379 0.8342 0.8561 0.4869 0.8546 0.8570 0.1578 0.6685 0.3561 0.4291 0.6984 0.6457 0.8558 0.5828 0.7478 0.7960 0.7401 0.4575 0.7983 0.4366 0.5734 0.8449 0.1916 0.4139 0.4005 0.6123 0.2022 0.4171 0.7830 0.7570 0.7082 0.6692 0.8437 0.8571 0.3405 0.6692 0.8264 0.6866 0.6668 0.3337 0.8571 0.8543 0.8368 0.7859 0.6879 0.5166 0.7196 0.7658 0.8544 0.3321 0.5873 0.5124 0.6633 0.2942 0.3314 0.8542 0.1118 0.1758 0.8363 0.8512 0.7458 0.3398 0.1100 0.8296 0.3278 0.4014 0.8571 0.7795 0.2872 0.5221 0.8526 0.8059 0.1337 0.8565 0.8571 0.6659 0.6425 0.5080 0.8571 0.5862 0.8082 0.7733 0.5997 0.4343 0.4394 0.1957 0.3690 0.5139 0.4145 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 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 6 7 6 6 6 6 6 6 6 6 1 6 7 6 8 6 6 7 6 8 6 6 6 6 6 7 6 8 6 6 6 6 6 6 6 7 1 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 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 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 5778.2750 44529.6171 46693.7500 0.99999 -0.00474 -0.00186 0.00475 0.99998 0.00448 0.00184 -0.00449 0.99999 1 0.01499 0.00195 0.00185 0.31233 0.04053 0.03865 20.12 26.39 29.34 40.00 47.60 53.72 58.18 65.52 72.60 79.63 93.91 96.05 126.19 141.69 151.96 166.15 180.93 201.07 212.10 224.97 246.79 280.20 302.20 310.55 317.70 344.09 376.49 403.50 430.46 447.55 453.04 494.48 523.21 527.76 546.55 577.15 590.07 637.20 669.26 671.41 686.33 698.65 717.61 721.05 747.41 760.41 767.62 790.30 830.01 833.13 878.71 910.08 931.49 950.05 959.61 981.45 1000.38 1004.89 1037.72 1090.83 1125.50 1144.02 1150.38 1161.60 1171.25 1186.74 1199.89 1220.17 1242.74 1248.75 1272.97 1288.33 1320.81 1326.00 1343.45 1360.87 1364.83 1374.58 1399.52 1438.06 1477.42 1486.82 1487.97 1494.89 1520.22 1524.40 1552.34 1563.29 1566.97 1584.32 1595.91 1599.69 1602.74 1635.97 1639.58 1645.18 1648.37 1664.53 1671.18 1691.76 1710.58 1775.23 1785.14 1792.92 1798.48 1800.04 1808.42 1820.07 1835.69 1837.39 1866.92 1880.70 1898.27 1901.86 1907.33 1919.98 1921.75 1935.04 1938.57 1977.30 1985.99 2012.05 2018.71 2029.83 2041.07 2052.99 2073.92 2087.66 2122.97 2127.54 2129.85 2134.22 2152.57 2156.04 2160.99 2170.00 2184.87 2205.44 2215.02 2262.19 2266.94 2271.25 2273.72 2288.87 2298.21 2312.57 2315.38 2326.22 2342.76 2346.02 2351.94 2358.79 2359.89 2363.63 2365.07 2368.40 2370.56 2394.28 2407.19 2419.36 2449.19 2453.54 2500.24 2520.32 2541.73 2605.25 2655.28 2774.14 2829.68 2925.38 4585.96 4596.53 4638.79 4638.95 4654.78 4657.58 4669.20 4669.25 4685.85 4686.22 4690.12 4698.44 4701.02 4714.07 4721.10 4729.93 4743.59 4751.43 4766.22 4775.25 4801.83 4802.97 4818.15 4832.90 4838.00 4887.91 4895.16 4910.96 4923.90 4925.20 4925.62 5579.65 5584.13 5610.54 0.636738 0.669043 0.669987 0.567307 -1576.190323 -1576.158018 -1576.157074 -1576.259754 3.443904D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE CN(C)c1ccc(cc1)[C@H](CNC(=O)CCN2C(=O)C3(CCCC3)NC2=O)C4=c5ccccc5=[NH+]C4 C63818954 RHF 6-31G(d) (6D,10F) C1 488.266165 |X|Y|Z| 48.062641 34.666654 153.590151 63.488389 30 6 7 26 4 |36.858105| |13.146386|53.358707| |7.656696|17.893868|36.858105| |7.811159|18.892810|7.810718|36.858105| |6.723291|10.690956|5.095724|13.562918|36.858105| |4.523862|7.039118|3.920545|7.859352|13.815339|36.858105| |3.739693|6.147587|3.740486|6.694935|7.858712|13.706803|36.858105| |3.917310|7.034397|4.522713|7.847611|6.919663|8.043450|13.697012|36.858105| |5.095349|10.693500|6.723013|13.562300|7.968132|6.932265|7.863627|13.802782|36.858105| |2.898930|4.516885|2.891040|4.360979|5.003379|7.557017|12.504425|7.420751|4.963887|36.858105| |2.815031|4.224208|2.672247|3.975256|4.819428|7.369722|8.985449|5.621146|4.210710|17.578774|0.500000| |2.539936|3.964856|2.663327|3.661452|3.884090|5.075337|7.422323|6.255163|4.348351|12.261237|0.248695|36.858105| |2.151528|3.262293|2.216034|2.887644|3.086423|3.875307|4.943440|4.268600|3.276292|7.598421|0.196724|13.169948|53.358707| |1.945638|2.945655|2.029933|2.554974|2.679320|3.252098|4.042588|3.672789|2.902622|5.702867|0.143731|7.771464|19.144959|36.858105| |1.974467|3.027976|2.103645|2.625610|2.698609|3.231882|4.091621|3.873747|3.043734|5.507795|0.129830|6.894636|11.597194|15.797060|73.516695| |1.704442|2.530985|1.753515|2.143486|2.255761|2.667520|3.124716|2.857203|2.368044|4.099039|0.111427|5.013203|10.661487|12.583540|14.173304|36.858105| |1.574034|2.329017|1.623115|1.946605|2.033001|2.359188|2.713760|2.525876|2.137747|3.410321|0.091628|3.852525|6.964881|7.585547|12.222599|12.459474|36.858105| |1.428196|2.085829|1.455304|1.720676|1.803824|2.064500|2.306071|2.144936|1.857167|2.810822|0.077750|3.086724|5.359254|5.028363|8.051848|7.723796|13.144704|53.358707| |1.385667|2.004233|1.389675|1.645767|1.742289|1.988986|2.175870|2.000667|1.750116|2.626485|0.074069|2.762870|4.643522|4.090457|6.664596|5.554963|7.637137|19.022308|36.858105| |1.444400|2.083547|1.432809|1.716656|1.835378|2.109176|2.289821|2.075832|1.813001|2.782174|0.079149|2.823511|4.671837|4.042635|6.689212|5.073331|6.553646|11.360103|15.924574|73.516695| |1.254807|1.802449|1.257253|1.463337|1.541362|1.732912|1.870674|1.739242|1.545775|2.197506|0.062214|2.316879|3.785761|3.193264|5.246967|4.149076|5.095396|11.145079|12.517260|13.924146|36.858105| |1.226616|1.746114|1.212615|1.412951|1.500205|1.682890|1.788596|1.648981|1.475735|2.085962|0.060194|2.173241|3.514977|2.833380|4.582934|3.565536|3.945421|7.420821|7.432264|10.954978|12.409631|36.858105| |1.116100|1.582796|1.105582|1.268798|1.338189|1.481623|1.563980|1.458485|1.320842|1.786925|0.051218|1.856012|2.925768|2.335619|3.860722|2.827240|3.120444|5.530290|4.993406|7.733670|7.844415|12.362060|36.858105| |1.089439|1.550454|1.087440|1.240144|1.299452|1.433024|1.519431|1.428887|1.296273|1.727433|0.048875|1.789931|2.795643|2.272882|3.847190|2.716396|3.138116|5.552014|4.996376|7.717909|7.841833|7.719719|12.272209|36.858105| |1.173643|1.680878|1.176457|1.353728|1.419264|1.578060|1.690056|1.584904|1.424218|1.947500|0.054740|2.018732|3.192891|2.669096|4.548465|3.249419|4.001626|7.503949|7.447131|10.883672|12.395881|7.957967|7.718198|12.361173|36.858105| |1.237486|1.786155|1.255274|1.448545|1.511586|1.692984|1.845141|1.737111|1.542965|2.158767|0.060482|2.342870|3.854450|3.282093|5.361002|4.386662|5.307287|11.795190|8.325541|9.793813|13.107122|7.623912|6.110760|6.105707|7.612741|53.358707| |1.323764|1.927940|1.357080|1.575144|1.636725|1.846552|2.048335|1.935509|1.698231|2.431752|0.067237|2.709784|4.581368|4.088057|6.603786|5.880940|7.615862|18.567211|8.326452|9.847993|8.120053|5.438206|4.333045|4.351701|5.497558|19.227145|36.858105| |1.319138|1.930372|1.369222|1.574429|1.619977|1.817691|2.031988|1.948367|1.711265|2.389397|0.065293|2.731435|4.581907|4.078996|6.636968|5.668082|6.637541|11.311728|5.566302|7.490710|5.432829|4.155008|3.541274|3.557605|4.197329|11.293748|15.978072|73.516695| |2.606428|4.018561|2.611569|3.716136|4.145333|5.636679|7.570399|5.693138|4.168452|12.642846|0.252587|7.576426|8.720521|5.930985|11.336042|4.277443|3.809811|4.173164|2.898595|5.613918|2.362215|2.201433|1.877134|1.841517|2.115504|3.102184|2.570703|4.412008|36.858105| |2.290678|3.417625|2.235500|3.031969|3.416477|4.411533|5.122692|4.071053|3.249551|7.401676|0.197852|5.512391|7.648398|5.649792|10.301078|4.499668|4.192986|4.658878|3.355958|6.811211|2.656969|2.476947|2.078162|2.037417|2.373995|3.384776|2.772710|4.617314|14.028883|36.858105| |2.115172|3.073625|2.009667|2.672923|3.064708|3.892696|4.212504|3.355001|2.778538|5.839689|0.184607|4.732804|7.182524|5.123593|8.382847|4.582263|4.185939|4.924657|3.708393|7.788718|2.915753|2.802240|2.297820|2.202481|2.554847|3.618291|2.902212|4.718952|7.426872|13.206981|36.858105| |1.868224|2.683661|1.777296|2.274018|2.557636|3.092245|3.268533|2.741349|2.346438|4.161690|0.125942|3.635678|5.613024|4.285636|7.162081|4.220150|4.196563|5.230282|4.228209|9.631930|3.266620|3.155210|2.555034|2.459174|2.895755|3.875596|3.024462|4.773356|5.136805|7.950677|14.205065|36.858105| |1.765917|2.549424|1.707812|2.135448|2.346821|2.761070|2.944984|2.564342|2.221320|3.598494|0.102405|3.204939|4.831577|3.902802|6.983372|3.847752|4.190543|5.216246|4.277108|10.044154|3.282418|3.045705|2.522480|2.521930|3.043726|3.852163|2.996567|4.710944|4.648668|6.876486|7.869159|13.174790|36.858105| |1.849316|2.708412|1.821779|2.278413|2.466064|2.889807|3.153053|2.795503|2.406181|3.803600|0.102734|3.349750|4.871330|4.026142|7.744363|3.738288|4.130425|4.866229|3.752131|8.174622|2.927630|2.648106|2.247900|2.290326|2.758352|3.566635|2.838754|4.577473|5.291295|7.658633|6.622321|7.718099|14.059166|36.858105| |2.105292|3.143139|2.095025|2.714469|2.947863|3.566972|4.060625|3.524501|2.923685|5.098129|0.130715|4.241147|5.906835|4.796922|9.636433|4.029555|4.158958|4.633010|3.374942|6.947087|2.663656|2.423634|2.061438|2.073056|2.452867|3.364071|2.743635|4.545843|8.419475|13.224338|7.658979|6.820025|8.070313|13.448262|36.858105| |2.222219|3.393372|2.284976|2.941984|3.090372|3.661104|4.311951|3.954625|3.262965|5.064928|0.120904|4.268204|5.561422|4.502343|9.785013|3.633416|3.727410|4.114987|2.907764|5.728728|2.362979|2.139524|1.855512|1.881116|2.201322|3.062588|2.516938|4.279073|8.271229|8.453532|5.298602|4.658524|5.259396|7.724778|14.505107|53.358707| |2.086141|3.179365|2.176968|2.694352|2.767248|3.159665|3.640643|3.491801|2.984790|4.067703|0.098836|3.603914|4.739337|3.895841|8.527884|3.266440|3.469400|3.894409|2.756155|5.379489|2.271345|2.040321|1.792543|1.841299|2.155884|2.952544|2.414319|4.121600|5.831918|5.928858|4.241438|3.956061|4.649016|6.827808|9.287433|26.035262|0.500000| |2.565690|4.044699|2.696875|3.664733|3.812503|4.692509|6.135624|5.630009|4.272584|7.189591|0.151762|5.652539|6.567165|4.956967|10.813927|3.700452|3.527386|3.859562|2.662473|5.101259|2.197595|2.014898|1.749530|1.749588|2.015002|2.908396|2.411677|4.185829|12.705913|8.211176|5.080301|4.103517|4.152824|5.198568|8.366317|17.906557|0.244316|36.858105| |17.653492|12.524210|7.533694|5.731729|4.893585|3.614573|3.128422|3.327370|4.240895|2.510928|0.067627|2.249692|2.633325|1.770048|3.203111|1.565256|1.456199|1.807966|1.289496|2.381950|1.174847|1.148391|1.050996|1.028416|1.104139|1.580088|1.238212|2.198160|2.296819|2.043757|1.895022|1.695839|1.617043|1.693930|1.906531|2.744711|0.053208|2.292677|0.500000| |17.576231|12.355747|5.767945|6.900823|6.881042|4.658914|3.717894|3.736844|4.620564|2.916695|0.079436|2.493431|2.902904|1.939407|3.503889|1.704179|1.583597|1.959727|1.406757|2.625137|1.271074|1.244534|1.131470|1.105204|1.192168|1.694762|1.327504|2.337704|2.678779|2.382513|2.202827|1.950614|1.846529|1.933809|2.196354|3.140138|0.060070|2.632753|0.303635|0.500000| |17.509179|12.238063|6.129200|6.855535|6.585636|4.552559|3.698810|3.763130|4.684151|2.901592|0.079829|2.566023|2.966891|1.947004|3.465508|1.714152|1.568889|1.945298|1.386827|2.564035|1.259276|1.237729|1.125134|1.092280|1.172700|1.692540|1.328382|2.354372|2.548468|2.251829|2.114118|1.862248|1.739312|1.800096|2.040286|2.888751|0.055006|2.446021|0.301492|0.300192|0.500000| |6.121477|12.239726|17.510058|6.865503|4.691489|3.771590|3.704731|4.558002|6.593816|2.893910|0.074292|2.748614|3.097107|2.067482|3.782522|1.785052|1.637826|1.997782|1.393171|2.537574|1.263345|1.218744|1.110951|1.090030|1.177157|1.727419|1.376007|2.482095|2.557723|2.182728|1.975015|1.743106|1.665557|1.766838|2.029247|2.994704|0.058063|2.607807|0.165037|0.130445|0.155098|0.500000| |5.771972|12.352317|17.574019|6.888701|4.613929|3.734928|3.713912|4.652102|6.869667|2.900763|0.073117|2.680933|3.037645|2.073792|3.881112|1.781829|1.663256|2.018918|1.412570|2.589394|1.274411|1.221174|1.113883|1.101445|1.196258|1.733066|1.380664|2.479393|2.685084|2.285643|2.023357|1.794832|1.744782|1.884161|2.176798|3.292874|0.064664|2.865098|0.157924|0.135372|0.130543|0.300200|0.500000| |7.538475|12.523801|17.653912|5.731468|4.241158|3.329373|3.128748|3.613502|4.893182|2.506538|0.065403|2.320604|2.686715|1.822583|3.345845|1.596968|1.488479|1.832738|1.292119|2.367740|1.176480|1.138623|1.043530|1.026930|1.106015|1.596843|1.260988|2.259195|2.299233|2.009775|1.829125|1.636836|1.578408|1.675360|1.899384|2.796605|0.054798|2.368736|0.251948|0.157650|0.165599|0.301527|0.303632|0.500000| |7.613907|9.666384|4.630570|8.832912|17.787885|9.032448|5.643957|4.982650|5.643273|4.114587|0.115409|3.284500|3.708569|2.391477|4.246761|2.062116|1.873507|2.294854|1.644792|3.088194|1.466544|1.439314|1.289842|1.249530|1.356426|1.948525|1.535852|2.691754|3.547365|3.072866|2.847119|2.422555|2.219675|2.301070|2.682233|3.755581|0.069361|3.257960|0.148497|0.241131|0.217835|0.116878|0.113854|0.113594|0.500000| |3.962217|5.717552|3.281758|5.628761|9.021306|17.687368|8.905792|5.680847|4.980688|7.035189|0.225256|4.705523|5.211811|3.205380|5.533038|2.690645|2.377349|2.865026|2.055588|3.913819|1.789028|1.755760|1.538429|1.477910|1.624634|2.355103|1.872466|3.243849|5.492606|4.642070|4.339835|3.399483|2.943097|2.997714|3.634640|4.837833|0.084665|4.315092|0.089933|0.116789|0.113385|0.087923|0.086735|0.080183|0.221100|0.500000| |3.284284|5.727472|3.972653|5.634855|4.976079|5.671722|8.860129|17.704159|9.054930|6.798476|0.140055|6.806715|6.240683|4.046086|7.846906|3.066982|2.707648|3.078385|2.074702|3.787211|1.798435|1.685614|1.490642|1.467666|1.635532|2.470307|2.046562|3.701867|5.558829|3.984955|3.248503|2.687403|2.550272|2.809682|3.544190|5.540612|0.101184|5.868883|0.080264|0.086867|0.087859|0.113842|0.117024|0.090121|0.108019|0.124032|0.500000| |4.631617|9.674217|7.617197|8.835653|5.643977|4.989085|5.646229|9.033653|17.786907|4.074575|0.097074|3.815373|4.039237|2.692437|5.076752|2.221694|2.026530|2.403645|1.656460|3.028029|1.473234|1.401057|1.262247|1.244369|1.364072|2.014649|1.629923|2.941281|3.572583|2.861398|2.463664|2.122335|2.037601|2.215190|2.649226|4.065774|0.077774|3.803614|0.113615|0.114011|0.116757|0.217997|0.241020|0.148532|0.123463|0.108099|0.222383|0.500000| |2.500679|3.987380|2.750164|3.648665|3.666791|4.533706|6.677583|6.688256|4.573034|8.709453|0.174212|17.663995|12.591097|7.376392|13.642526|4.712379|3.795799|4.077826|2.643624|4.754588|2.229508|2.060117|1.779207|1.738293|1.965685|3.102785|2.659037|4.844070|6.800053|4.909744|4.045440|3.252794|3.001263|3.237371|4.110014|5.993384|0.105679|6.030923|0.062125|0.067662|0.069152|0.079168|0.078463|0.066116|0.085574|0.112568|0.236307|0.115561|0.500000| |2.633106|4.092039|2.752900|3.767903|3.986715|5.086151|6.975221|6.071203|4.416323|8.903615|0.217634|17.618202|12.553245|5.821008|9.065041|4.277403|3.312581|3.761762|2.494459|4.488140|2.144069|2.043585|1.761238|1.684900|1.871530|2.972071|2.493722|4.509118|5.560233|4.360556|3.995289|3.166242|2.778237|2.847721|3.462100|4.725526|0.083755|4.410361|0.064615|0.070698|0.075321|0.080543|0.075482|0.066528|0.093955|0.130298|0.175872|0.107684|0.303106|0.500000| |2.062306|3.076990|2.088825|2.687203|2.901501|3.592716|4.329284|3.727479|2.971717|6.152876|0.178679|9.027844|26.061988|9.382714|10.886900|7.484732|4.752748|5.299505|3.409890|6.022813|2.833176|2.691804|2.225767|2.087519|2.353164|3.944854|3.404355|6.040246|5.095400|4.761688|4.905242|3.943986|3.308119|3.216186|3.727575|4.687861|0.083070|3.919865|0.051645|0.056707|0.058724|0.059867|0.057786|0.052107|0.072441|0.101117|0.108098|0.075015|0.184198|0.230241|0.500000| |1.632430|2.422492|1.695772|2.033616|2.115255|2.460165|2.864012|2.680889|2.251969|3.609211|0.097988|4.561240|9.127198|8.933491|11.330366|17.548510|8.836345|9.218369|4.813873|7.486389|3.923317|3.406532|2.765095|2.640989|3.078056|6.045844|6.134575|11.755018|3.600373|3.644663|3.691233|3.427123|3.159973|3.090605|3.310377|4.204478|0.078709|3.202782|0.041851|0.045001|0.045782|0.048357|0.047756|0.043003|0.053848|0.068354|0.080575|0.059360|0.122004|0.113901|0.191070|0.500000| |1.704171|2.502106|1.716297|2.118164|2.269432|2.703658|3.091049|2.749811|2.296674|4.086092|0.117250|4.758485|10.049462|8.928491|10.707804|17.548943|8.837664|9.869759|5.895453|9.875549|4.379102|3.959309|3.030487|2.817699|3.331477|6.016277|5.504722|8.873935|4.185359|4.592892|5.134317|4.766342|4.069534|3.737945|3.942441|4.660576|0.084636|3.466359|0.043351|0.047546|0.047912|0.048426|0.048049|0.043571|0.058186|0.077503|0.079873|0.059256|0.117552|0.116111|0.222369|0.302578|0.500000| |1.626579|2.406754|1.665568|2.018960|2.122748|2.479036|2.845375|2.617448|2.208500|3.606743|0.096505|3.864083|6.716305|7.114193|12.602729|8.823583|17.670885|12.701895|7.417493|13.382040|4.746955|3.755517|2.987559|3.043967|3.935812|6.157795|5.727912|8.772006|4.283588|4.992286|4.887261|5.054948|5.336876|5.351357|5.216990|6.074554|0.114428|3.992758|0.041696|0.045792|0.044795|0.046294|0.047572|0.042402|0.054334|0.069727|0.077259|0.057778|0.105385|0.090477|0.123521|0.173718|0.205581|0.500000| |1.534956|2.284667|1.610060|1.898613|1.951594|2.234423|2.586316|2.473672|2.106527|3.160892|0.082990|3.626906|6.230938|6.689195|12.144813|8.836693|17.663656|12.556119|5.861706|8.974035|4.423444|3.427581|2.845273|2.935028|3.685430|6.639760|7.106413|12.588678|3.506700|3.694905|3.531290|3.493955|3.589591|3.700127|3.781033|4.868832|0.095159|3.410810|0.039637|0.042704|0.042330|0.045236|0.046115|0.041020|0.049805|0.061627|0.074904|0.056185|0.103607|0.087258|0.116074|0.217830|0.173991|0.302452|0.500000| |1.253209|1.783263|1.237401|1.446034|1.538482|1.730843|1.840746|1.691678|1.510445|2.155595|0.062699|2.273226|3.720572|2.949006|4.659694|3.771846|3.936865|7.215101|6.450054|9.541440|8.708608|17.583338|8.625831|5.629181|5.663801|9.725346|5.458223|7.642791|2.232114|2.484526|2.833953|3.108036|2.899448|2.532536|2.374341|2.863192|0.055263|2.016271|0.032538|0.035212|0.035289|0.034684|0.034487|0.032234|0.040978|0.050248|0.048003|0.039765|0.059325|0.059933|0.080869|0.102240|0.119748|0.101258|0.094362|0.500000| |1.258232|1.784975|1.232387|1.446291|1.546982|1.740821|1.836219|1.677402|1.501486|2.145779|0.062448|2.190947|3.517908|2.808735|4.561694|3.443341|3.784744|6.730128|7.111727|12.285384|8.919053|17.568937|8.762366|6.414922|6.959790|7.674725|4.527094|6.333865|2.286847|2.623814|3.038262|3.542848|3.403354|2.862779|2.568084|3.033353|0.058783|2.077780|0.032658|0.035636|0.035246|0.034266|0.034446|0.032158|0.041372|0.050863|0.047282|0.039403|0.057281|0.057003|0.074524|0.088758|0.108064|0.104495|0.090101|0.301363|0.500000| |1.086489|1.541030|1.080295|1.232621|1.295159|1.429022|1.510161|1.415650|1.285018|1.717257|0.049143|1.802953|2.838684|2.251341|3.705992|2.727307|2.946963|5.149807|4.324406|6.587486|6.426210|8.767472|17.565055|8.723050|5.947360|8.191983|4.268787|6.421538|1.781967|1.944723|2.132128|2.320533|2.269987|2.052630|1.915029|2.372280|0.046780|1.662791|0.028466|0.030485|0.030489|0.030260|0.030194|0.028344|0.034665|0.041072|0.040285|0.034214|0.048119|0.047905|0.060394|0.075925|0.080628|0.076775|0.075780|0.220503|0.175082|0.500000| |1.089783|1.537244|1.071412|1.228363|1.299891|1.434334|1.500154|1.395170|1.270197|1.702073|0.049072|1.747580|2.722770|2.141039|3.549614|2.532279|2.741802|4.650931|4.168027|6.879915|5.720185|8.737392|17.593609|8.647802|5.897610|6.221425|3.521211|5.276828|1.784022|1.978829|2.203653|2.464646|2.422773|2.143137|1.958711|2.395920|0.047221|1.659784|0.028532|0.030762|0.030549|0.029850|0.029920|0.028168|0.034989|0.041560|0.039367|0.033671|0.046370|0.046274|0.057621|0.068386|0.075943|0.074240|0.069513|0.191710|0.222637|0.304523|0.500000| |1.050221|1.496881|1.055179|1.193806|1.243496|1.364996|1.451080|1.375545|1.251471|1.639646|0.046123|1.714156|2.665380|2.168219|3.687185|2.581330|2.968070|5.173453|4.325204|6.570712|6.419568|5.944900|8.722310|17.564493|8.764667|8.175555|4.292901|6.464352|1.736626|1.894999|2.020104|2.214387|2.268971|2.100735|1.928572|2.415167|0.048468|1.662545|0.027607|0.029502|0.029245|0.029449|0.029714|0.027704|0.033176|0.038889|0.039409|0.033527|0.046566|0.045006|0.055241|0.071081|0.073141|0.078613|0.079086|0.134088|0.135534|0.228589|0.181465|0.500000| |1.052581|1.492735|1.046554|1.189343|1.246810|1.368539|1.441298|1.356224|1.237332|1.625236|0.046014|1.665078|2.566252|2.068356|3.534102|2.412572|2.760655|4.671652|4.171974|6.865418|5.720458|5.900913|8.647785|17.594585|8.739774|6.217725|3.536948|5.303344|1.738093|1.926053|2.078731|2.336774|2.422647|2.200425|1.974371|2.442147|0.049021|1.660115|0.027653|0.029737|0.029275|0.029059|0.029449|0.027531|0.033433|0.039263|0.038541|0.033009|0.044959|0.043601|0.053016|0.064729|0.069487|0.075981|0.072138|0.125934|0.153460|0.181384|0.223193|0.304592|0.500000| |1.195843|1.708801|1.190811|1.376946|1.450466|1.614972|1.720209|1.603661|1.442116|1.982281|0.055895|2.018588|3.166827|2.633590|4.524375|3.130619|3.839560|6.798445|7.125733|12.174239|8.911915|6.957676|6.411343|8.762743|17.568890|7.667632|4.564717|6.386109|2.181831|2.490862|2.703316|3.155874|3.400312|3.019261|2.606643|3.139143|0.062798|2.077949|0.031217|0.033898|0.033127|0.032954|0.033650|0.031115|0.038602|0.046405|0.045712|0.038234|0.054402|0.051740|0.064430|0.080422|0.090085|0.110091|0.096787|0.140106|0.200478|0.135527|0.153294|0.175095|0.222793|0.500000| |1.158394|1.665845|1.171898|1.339380|1.393909|1.543915|1.663272|1.575093|1.416883|1.906723|0.052963|1.987983|3.122257|2.645026|4.596486|3.183449|4.037676|7.352541|6.468207|9.459842|8.700612|5.663783|5.628201|8.621833|17.584166|9.702759|5.565887|7.792278|2.080892|2.309239|2.423664|2.703963|2.896728|2.710415|2.423806|3.009427|0.060866|2.016587|0.030336|0.032627|0.032050|0.032578|0.033233|0.030597|0.036889|0.043813|0.045449|0.037890|0.054452|0.051033|0.063179|0.084491|0.087689|0.109793|0.107873|0.124934|0.140141|0.134139|0.125882|0.220343|0.191646|0.301532|0.500000| |1.170079|1.684648|1.189105|1.357981|1.411104|1.567418|1.699509|1.611690|1.443383|1.960590|0.054890|2.128903|3.440225|2.870056|4.730353|3.689399|4.256313|8.252537|5.839499|7.677554|8.712255|6.520423|6.165098|6.207862|6.602533|26.072689|9.328776|12.982750|2.048158|2.205650|2.341219|2.484823|2.469570|2.308472|2.192122|2.752073|0.054462|1.934356|0.030599|0.032637|0.032693|0.033454|0.033472|0.030969|0.037233|0.044391|0.046753|0.038637|0.057818|0.055756|0.072141|0.106709|0.102684|0.102620|0.113345|0.174606|0.134598|0.186324|0.127042|0.188456|0.127780|0.135617|0.178244|0.500000| |2.186694|3.152373|2.045676|2.754813|3.222594|4.171985|4.409211|3.413232|2.829107|6.185966|0.223385|5.012861|7.609677|4.930240|7.655805|4.444757|3.822598|4.596231|3.423635|6.931001|2.773204|2.734861|2.245436|2.112611|2.401530|3.490275|2.786351|4.579217|6.562556|8.712630|17.752762|9.039305|5.591728|4.823195|5.504425|5.841150|0.098230|4.426637|0.054103|0.062987|0.061590|0.056241|0.056500|0.051687|0.083630|0.134119|0.090361|0.069073|0.113346|0.122096|0.153304|0.102326|0.143848|0.117024|0.090203|0.078615|0.081839|0.058474|0.060100|0.054050|0.055245|0.069670|0.062896|0.063284|0.500000| |1.755117|2.491527|1.654557|2.086913|2.348347|2.793437|2.891432|2.448922|2.130567|3.578488|0.110635|3.220561|5.013303|3.756703|6.127837|3.893551|3.845003|5.088720|4.289005|9.843764|3.410524|3.446087|2.755001|2.589967|3.002040|3.954634|2.998491|4.678198|4.104245|5.624029|9.039724|17.764531|8.781957|5.593261|4.930687|5.023583|0.090060|3.356406|0.044447|0.050836|0.048962|0.045232|0.046113|0.042608|0.062652|0.086055|0.066518|0.053809|0.079843|0.080347|0.101946|0.090179|0.126518|0.122844|0.088882|0.094636|0.111063|0.068890|0.074840|0.063982|0.068562|0.091553|0.076034|0.070609|0.215666|0.500000| |1.615533|2.313651|1.561021|1.910592|2.083464|2.400717|2.527222|2.240787|1.975384|2.999027|0.085582|2.740738|4.134627|3.340553|5.945907|3.431746|3.848152|5.084177|4.396398|10.698451|3.453550|3.226768|2.694341|2.726107|3.312034|3.923962|2.960943|4.590063|3.684992|4.957154|5.661291|8.807692|17.740655|9.084387|5.699590|5.716083|0.108632|3.399731|0.041403|0.046895|0.044255|0.042324|0.044253|0.040374|0.055307|0.070904|0.062045|0.050820|0.071976|0.067377|0.080215|0.080233|0.101038|0.132408|0.092615|0.083127|0.102590|0.066228|0.072511|0.067131|0.073768|0.106576|0.086551|0.070021|0.124186|0.216120|0.500000| |1.738905|2.544245|1.730205|2.109487|2.245201|2.565176|2.781781|2.541514|2.229178|3.228398|0.086200|2.915398|4.188841|3.487421|6.848673|3.296019|3.761103|4.530436|3.499639|7.459979|2.801607|2.505628|2.172370|2.260568|2.728602|3.421118|2.698247|4.370344|4.294911|5.498522|4.823296|5.525112|8.950765|17.752538|8.757880|9.249590|0.193204|4.546493|0.044631|0.050476|0.046764|0.046498|0.050023|0.044452|0.058479|0.072930|0.071527|0.057815|0.080114|0.069901|0.077352|0.077666|0.089829|0.132636|0.097054|0.065721|0.074740|0.055050|0.057562|0.057856|0.060905|0.083526|0.075760|0.062016|0.105357|0.123266|0.216520|0.500000| 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