Version2.0 2019-11-23T04:51:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1([C@@H]2CC=C([C@H]1C2)CN(CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C)C(=O)Nc4ccc(cc4)Cl)C C00744625 RHF 6-31G(d) (6D,7F) CC1([C@@H]2CC=C([C@H]1C2)CN(CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C)C(=O)Nc4ccc(cc4)Cl)C C01[X(C28H43Cl1N5O2)] 231 C1 630 Clc1ccc(cc1)NC(=O)N(CC1=CC[C@@H]2C[C@H]1C2(C)C)CC[NH+]1CCN(CC1)C(=O)NC(C)(C)C Clc1ccc(cc1)NC(=O)N(CC1=CC[C@@H]2C[C@H]1C2(C)C)CC[NH]1CCN(CC1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)N1CC[NH](CC1)CCN(CC2=CC[C@@H]3C[C@H]2C3(C)C)C(=O)Nc4ccc(Cl)cc4 InChIKey=XKFMFCPOVCFSHL-ZJSXRUAMSA-N InChI=1S/C28H43ClN5O2/c1-27(2,3)31-26(36)33-15-12-32(13-16-33)14-17-34(25(35)30-23-10-8-22(29)9-11-23)19-20-6-7-21-18-24(20)28(21,4)5/h6,8-11,21,24,32H,7,12-19H2,1-5H3,(H,30,35)(H,31,36)/t21-,24-/m1/s1 InChI=1/C28H43ClN5O2/c1-27(2,3)31-26(36)33-15-12-32(13-16-33)14-17-34(25(35)30-23-10-8-22(29)9-11-23)19-20-6-7-21-18-24(20)28(21,4)5/h6,8-11,21,24,32H,7,12-19H2,1-5H3,(H,30,35)(H,31,36)/t21-,24-/m1/s1/f/h30-31H CC1([C@@H]2CC=C([C@H]1C2)CN(CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C)C(=O)Nc4ccc(cc4)Cl)C C01[X(C28H43Cl1N5O2)] 231 C01 630 Clc1ccc(cc1)NC(=O)N(CC1=CC[C@@H]2C[C@H]1C2(C)C)CC[NH+]1CCN(CC1)C(=O)NC(C)(C)C Clc1ccc(cc1)NC(=O)N(CC1=CC[C@@H]2C[C@H]1C2(C)C)CC[NH]1CCN(CC1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)N1CC[NH](CC1)CCN(CC2=CC[C@@H]3C[C@H]2C3(C)C)C(=O)Nc4ccc(Cl)cc4 InChIKey=XKFMFCPOVCFSHL-ZJSXRUAMSA-N InChI=1S/C28H43ClN5O2/c1-27(2,3)31-26(36)33-15-12-32(13-16-33)14-17-34(25(35)30-23-10-8-22(29)9-11-23)19-20-6-7-21-18-24(20)28(21,4)5/h6,8-11,21,24,32H,7,12-19H2,1-5H3,(H,30,35)(H,31,36)/t21-,24-/m1/s1 InChI=1/C28H43ClN5O2/c1-27(2,3)31-26(36)33-15-12-32(13-16-33)14-17-34(25(35)30-23-10-8-22(29)9-11-23)19-20-6-7-21-18-24(20)28(21,4)5/h6,8-11,21,24,32H,7,12-19H2,1-5H3,(H,30,35)(H,31,36)/t21-,24-/m1/s1/f/h30-31H 4074.4850268505 -1966.6087414 1-A 31558.4450 139 491 630 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.88050 -20.62885 -20.62360 -15.84183 -15.70321 -15.70269 -15.69044 -15.67811 -11.48375 -11.48090 -11.43684 -11.42617 -11.41393 -11.41350 -11.40716 -11.39286 -11.38281 -11.36422 -11.36202 -11.36105 -11.32666 -11.31792 -11.31614 -11.31553 -11.31483 -11.31444 -11.31296 -11.30861 -11.30501 -11.30330 -11.29894 -11.29575 -11.28689 -11.28362 -11.28306 -11.28217 -10.61383 -8.08324 -8.07985 -8.07981 -1.51681 -1.51364 -1.48326 -1.37785 -1.37108 -1.34234 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405.03 408.84 420.36 428.47 452.45 495.15 506.71 530.60 538.14 543.00 549.63 588.00 601.25 611.88 614.69 625.56 637.07 656.88 657.97 661.47 676.34 684.67 716.49 721.65 727.99 750.46 770.41 796.77 822.29 834.08 838.32 874.44 903.53 957.19 979.66 996.88 1002.29 1052.37 1097.94 1103.20 1133.55 1170.57 1186.28 1213.07 1238.57 1257.97 1281.36 1289.22 1291.80 1323.81 1328.99 1335.25 1348.16 1360.23 1370.66 1401.46 1419.43 1434.99 1444.35 1447.13 1455.10 1476.74 1478.41 1489.09 1510.85 1522.76 1526.46 1534.31 1551.59 1554.14 1571.81 1584.72 1585.88 1597.11 1601.87 1604.70 1628.81 1645.17 1665.56 1667.22 1681.57 1684.47 1691.15 1694.96 1723.90 1743.24 1746.77 1794.33 1798.85 1810.16 1827.72 1854.75 1865.07 1870.19 1880.68 1907.22 1909.22 1932.68 1937.82 1949.16 1954.00 1957.37 1982.82 1985.56 2007.28 2010.70 2018.00 2027.40 2032.11 2060.69 2073.64 2089.82 2098.88 2112.34 2125.65 2144.20 2162.48 2172.44 2178.69 2192.66 2201.60 2212.51 2223.31 2231.37 2242.23 2242.67 2244.08 2251.81 2258.55 2264.28 2268.40 2283.27 2288.96 2308.73 2335.55 2338.36 2344.13 2345.21 2349.28 2350.23 2351.89 2356.97 2358.97 2359.69 2365.97 2367.33 2373.54 2378.50 2382.76 2389.42 2395.32 2403.45 2409.22 2412.82 2450.23 2494.56 2583.58 2601.14 2697.70 2718.86 2793.21 4601.33 4605.38 4605.86 4616.31 4620.82 4625.74 4631.05 4637.57 4642.60 4645.33 4661.22 4676.35 4677.55 4687.67 4689.37 4693.37 4694.19 4698.20 4702.23 4708.25 4714.34 4720.10 4738.95 4744.01 4760.05 4760.66 4767.99 4774.21 4785.16 4785.75 4788.09 4789.67 4811.71 4831.65 4839.74 4854.41 4866.79 4893.97 4900.91 4970.44 5293.05 5541.07 5570.25 0.745897 0.779893 0.780838 0.674359 -1965.862844 -1965.828848 -1965.827904 -1965.934382 3.571290D-04 MUNgauss RevisionA1.9 retrievium 23-Nov-2019 DUDE CC1([C@@H]2CC=C([C@H]1C2)CN(CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C)C(=O)Nc4ccc(cc4)Cl)C C00744625 RHF 6-31G(d) (6D,10F) C1 516.310499 |X|Y|Z| 147.906453 92.534013 33.458437 77.078169 25 6 7 21 4 |36.858105| |12.409570|36.858105| |7.411911|12.197613|36.858105| |6.835691|8.369520|17.570582|0.500000| |4.862006|7.439014|12.396568|0.242881|36.858105| |4.343096|6.611632|7.618640|0.153284|12.585352|36.858105| |4.892295|7.527944|7.015511|0.139380|7.753111|14.374054|36.858105| |7.402974|12.144042|9.033297|0.170550|6.881208|7.840935|12.526280|36.858105| |6.805315|8.321621|6.133665|0.131903|4.947706|5.683639|8.715460|17.560584|0.500000| |6.651285|8.858907|12.322024|0.232905|7.620638|6.836074|7.719845|12.288006|0.232070|36.858105| |3.815079|5.041311|4.522983|0.099927|4.916494|7.663211|12.620280|7.241690|0.193960|5.052307|36.858105| |3.443865|4.163670|3.832498|0.087796|3.903936|5.284195|7.586001|6.085215|0.187610|4.665833|12.983225|53.358707| |3.281449|3.702345|3.255780|0.076937|3.172054|3.955903|5.320317|5.017717|0.170834|3.878263|7.554800|17.979340|36.858105| |2.634553|2.925483|2.632806|0.063833|2.643286|3.243770|4.004031|3.644755|0.115255|2.987239|5.589302|10.455853|12.365531|36.858105| |2.366867|2.521240|2.279432|0.056462|2.241063|2.630700|3.146167|3.034054|0.096682|2.582874|3.957969|6.928038|7.563878|12.647585|53.358707| |2.526923|2.637727|2.342243|0.058120|2.254746|2.609820|3.155210|3.161305|0.103489|2.666597|3.849894|6.616785|7.563146|9.296282|25.689716|0.500000| |2.173238|2.297579|2.141789|0.053563|2.104785|2.433956|2.849590|2.770252|0.086931|2.465003|3.441042|6.141016|5.880043|7.599096|17.112912|0.257837|36.858105| |1.957005|2.018605|1.882508|0.047821|1.831310|2.062807|2.367838|2.358808|0.073582|2.138277|2.741421|4.593472|4.205321|4.967585|10.461612|0.200094|12.524719|36.858105| |1.787164|1.845220|1.715036|0.043774|1.684109|1.892743|2.143228|2.110160|0.064908|1.904997|2.486631|3.995577|3.576597|4.424790|8.978599|0.166865|7.734537|13.135875|53.358707| |1.880656|1.944963|1.775809|0.045140|1.744365|1.971929|2.249223|2.208322|0.068277|1.950171|2.645532|4.166066|3.839800|4.947820|10.403505|0.198749|6.602276|7.931746|17.906178|36.858105| |2.074525|2.195429|1.989915|0.049901|1.977136|2.290754|2.653490|2.538334|0.078673|2.187973|3.265611|5.219783|5.005454|7.615173|17.280695|0.260062|7.687132|6.639817|10.518560|12.451615|36.858105| |1.617409|1.682156|1.586238|0.040659|1.576973|1.769476|1.969570|1.910852|0.057714|1.748439|2.275180|3.600569|3.068053|3.783899|6.785338|0.121733|5.984431|7.885842|18.404653|7.692941|5.865567|36.858105| |1.598946|1.673231|1.597888|0.040953|1.597085|1.794808|1.987012|1.914445|0.057426|1.772035|2.290358|3.663223|3.039383|3.691283|6.269182|0.110763|6.042663|7.180776|11.445947|5.525462|4.905481|15.870953|73.516695| |1.492833|1.547956|1.457583|0.037556|1.453598|1.620447|1.785040|1.729940|0.051829|1.584068|2.044976|3.143573|2.637350|3.208439|5.455683|0.100870|4.329721|5.259999|11.190046|6.631018|5.003311|14.095602|14.918170|53.358707| |1.351649|1.404664|1.336055|0.034602|1.341940|1.487697|1.615746|1.556779|0.046068|1.441164|1.832353|2.772845|2.256062|2.684039|4.287938|0.079756|3.401164|3.873760|6.941579|4.411086|3.741955|7.587651|11.668899|17.472063|36.858105| |1.281860|1.324375|1.269670|0.033050|1.270154|1.395697|1.508934|1.465620|0.043283|1.374588|1.686638|2.559121|2.059913|2.374747|3.757531|0.071176|3.089870|3.598283|5.965007|3.613284|3.087332|6.153847|10.780227|10.430541|12.427551|36.858105| |1.276295|1.320198|1.250503|0.032515|1.255059|1.382732|1.494295|1.444534|0.042615|1.335096|1.681829|2.497539|2.026429|2.378124|3.731389|0.070994|2.822618|3.167127|5.553539|3.882754|3.299504|5.133869|7.792932|10.807042|12.437845|7.591664|36.858105| |1.354695|1.424368|1.363299|0.035209|1.385375|1.547526|1.670189|1.583671|0.046474|1.466223|1.910534|2.878668|2.297242|2.772107|4.251167|0.077103|3.353523|3.535557|5.930057|3.922248|3.670468|6.186269|10.997541|10.507133|12.441236|7.542595|7.616505|36.858105| |2.972250|3.496451|3.461077|0.081390|3.583417|4.640413|5.808886|4.857691|0.142064|4.296818|7.562196|18.812002|8.024652|6.179630|6.242334|0.117804|4.590684|3.401556|3.946138|2.888624|3.504828|2.682539|5.015560|3.143842|2.062483|1.930967|1.829662|2.162514|36.858105| |2.631365|2.960124|2.911724|0.070483|2.944024|3.590659|4.305192|3.906039|0.117841|3.569437|5.298601|11.579629|7.353379|6.408513|7.081399|0.129831|5.832210|4.088615|4.539334|3.197977|3.829527|3.085697|5.907039|3.508933|2.279921|2.148700|1.982804|2.382933|15.723660|73.516695| |2.899030|3.496085|3.702881|0.087027|4.053604|5.333274|6.008122|4.727200|0.126550|4.535538|6.751577|11.191018|5.285676|4.412119|4.737843|0.090704|3.510736|2.771049|3.305682|2.412440|2.845575|2.302138|4.327732|2.754202|1.847606|1.745809|1.654089|1.952382|14.109517|14.951467|53.358707| |2.465598|2.874437|3.130394|0.076606|3.429265|4.136486|4.280278|3.623659|0.096939|3.718926|4.520690|7.054148|3.929779|3.532100|4.044313|0.077155|3.130971|2.550850|3.060525|2.184549|2.506007|2.182702|4.181300|2.619340|1.787450|1.713082|1.593166|1.902128|7.695973|11.744371|18.265320|36.858105| |2.283164|2.678338|2.986430|0.074263|3.425089|4.043583|3.864010|3.216716|0.083636|3.351209|3.940593|5.570778|3.202494|2.963604|3.429142|0.065676|2.602531|2.180959|2.684810|1.933146|2.200986|1.938125|3.691979|2.369819|1.641016|1.573204|1.478239|1.758715|5.235740|8.089707|10.829741|13.721075|36.858105| |1.995942|2.280661|2.542281|0.065008|2.854896|3.189233|3.038601|2.648663|0.069612|2.804623|3.065448|4.347645|2.646225|2.504349|3.000046|0.057650|2.313942|1.989397|2.466711|1.757168|1.961304|1.804427|3.461791|2.220764|1.558086|1.510936|1.404724|1.672504|3.932599|6.530136|7.052266|7.910440|13.782189|36.858105| |1.879047|2.098661|2.308777|0.059590|2.497876|2.742599|2.698346|2.438966|0.065467|2.593243|2.742805|4.036668|2.539045|2.418561|2.974721|0.057211|2.359130|2.050353|2.519172|1.763874|1.939927|1.854315|3.602096|2.266716|1.595101|1.566509|1.426973|1.705809|3.700692|6.525807|6.192924|6.878687|7.982964|13.781407|36.858105| |1.974639|2.186480|2.370614|0.060717|2.496772|2.767726|2.825123|2.599097|0.071186|2.749016|2.913869|4.499620|2.854845|2.696267|3.346861|0.064263|2.729011|2.346816|2.820012|1.947285|2.137529|2.064217|4.051040|2.481253|1.728261|1.704308|1.529198|1.835535|4.319334|8.033087|6.965291|7.944790|6.905145|7.942912|13.786455|36.858105| |2.253444|2.531312|2.721187|0.068129|2.854219|3.273717|3.452110|3.131485|0.086461|3.261828|3.631210|5.895362|3.591142|3.292389|3.972090|0.075935|3.236102|2.677357|3.156129|2.193151|2.456151|2.268224|4.426210|2.690967|1.841032|1.792817|1.623533|1.948169|6.254951|11.635199|10.488926|13.730565|7.943848|6.856387|7.941281|13.757023|36.858105| |1.623346|1.780824|1.949739|0.051323|2.088488|2.228074|2.177112|2.010029|0.054150|2.140012|2.196352|3.179207|2.069874|2.002050|2.522446|0.048812|2.000445|1.789923|2.230415|1.555958|1.680657|1.659797|3.222375|2.054877|1.467144|1.457609|1.320664|1.567035|2.775198|4.969801|4.375689|4.225377|4.775484|7.040110|10.954219|7.038285|4.764417|448.794386| |7.715538|12.459834|7.135507|0.162612|6.274503|5.990057|6.309644|7.107396|0.161689|5.331972|4.772903|5.088163|3.401562|2.820456|3.292251|0.069815|2.158823|1.906890|2.422599|1.906137|2.165443|1.629738|2.859876|2.065842|1.381738|1.292240|1.310562|1.405782|3.095314|4.704788|4.191587|2.561818|2.442899|2.096161|1.914723|1.968277|2.247967|13.196007|36.858105| |17.547828|8.806407|6.515801|0.190125|4.511015|3.847124|4.065082|5.437507|0.137182|5.282866|3.247352|3.971337|2.782387|2.310789|2.853969|0.061754|1.936243|1.763569|2.215337|1.711262|1.871690|1.484532|2.608177|1.879832|1.259134|1.196613|1.195718|1.262400|2.572696|4.091650|3.469729|2.217540|2.092597|1.854047|1.743636|1.812081|2.034616|12.249444|7.078462|0.500000| |17.531386|8.792570|5.438690|0.137587|4.037114|3.867631|4.516764|6.492462|0.188565|5.268733|3.775621|4.709996|3.451660|2.772469|3.424616|0.075838|2.269429|2.055388|2.563736|2.005933|2.210289|1.686926|2.937464|2.122892|1.402433|1.324296|1.328598|1.397461|2.920815|4.659396|3.763758|2.342375|2.152041|1.885427|1.786479|1.888831|2.158682|12.426964|7.076182|0.302178|0.500000| |17.608686|8.634764|6.878013|0.184653|4.468430|3.988261|4.496620|6.881579|0.184327|7.263774|3.562431|4.592099|3.225348|2.572882|3.192434|0.069764|2.196468|1.987801|2.442469|1.864589|2.035964|1.622791|2.865656|2.027462|1.348450|1.287739|1.267725|1.347113|2.998439|4.781494|3.983036|2.519149|2.307497|2.030053|1.933121|2.050168|2.339649|13.410048|5.523641|0.302889|0.302482|0.500000| |4.502526|6.522669|8.747744|0.208915|17.520313|8.903034|6.025363|5.404672|0.115427|5.517233|4.264312|4.591760|2.833540|2.427607|2.824750|0.057994|1.934976|1.700508|2.154477|1.649991|1.863972|1.487202|2.665120|1.882218|1.281844|1.210681|1.207210|1.323995|3.073403|4.588832|4.629255|2.945882|2.997908|2.558919|2.244217|2.220002|2.490488|15.374299|6.591630|0.122721|0.105884|0.111073|0.500000| |4.034452|5.449096|8.808473|0.212122|17.515131|8.879146|5.985915|5.394619|0.115385|6.673863|4.208453|4.816028|2.879281|2.441321|2.850847|0.058152|2.005022|1.752068|2.189509|1.648040|1.853105|1.518790|2.754793|1.904533|1.299906|1.237744|1.212846|1.345560|3.425644|5.069178|5.491011|3.582220|3.699832|3.118723|2.693879|2.644816|2.975272|18.079821|4.638811|0.106073|0.094415|0.108287|0.304320|0.500000| |3.512605|4.886061|5.441513|0.121144|8.507560|17.653249|9.055961|5.535678|0.123832|5.000659|6.989242|6.639920|3.666314|3.161333|3.469254|0.069044|2.365111|2.001084|2.525579|1.931970|2.255556|1.755480|3.178128|2.198056|1.493481|1.396843|1.388450|1.569171|4.450828|6.173540|7.213412|4.240218|4.379676|3.411120|2.846741|2.804429|3.273307|18.530848|4.829581|0.089006|0.089401|0.090426|0.205695|0.204071|0.500000| |4.825938|6.089817|8.428763|0.181588|7.123441|6.835554|7.216092|8.442806|0.181914|17.583927|5.007903|6.549795|3.829099|2.992605|3.506398|0.072658|2.513595|2.161128|2.605934|1.935395|2.173744|1.774122|3.232702|2.176750|1.461740|1.399462|1.345373|1.496456|4.790575|6.961713|7.404286|4.507271|4.014770|3.294259|3.020561|3.209697|3.870537|19.516378|4.300464|0.113424|0.113238|0.145158|0.141264|0.197972|0.145434|0.500000| |7.041473|7.311550|8.631392|0.207016|5.520264|4.936370|5.557280|8.603922|0.205696|17.648534|4.130686|5.503250|3.577778|2.782216|3.378460|0.072180|2.395403|2.115392|2.551166|1.908058|2.104944|1.711938|3.077895|2.110518|1.408615|1.351853|1.306529|1.421084|3.791976|5.876246|5.263239|3.299550|2.955262|2.547867|2.417014|2.591335|3.028069|16.296565|4.610591|0.154005|0.153411|0.255517|0.122302|0.141726|0.108249|0.301064|0.500000| |3.874092|4.981472|4.131757|0.093285|4.328281|6.104911|8.964087|6.487213|0.185576|4.397125|17.572672|12.620828|7.595908|5.870901|5.639890|0.114051|3.412572|2.757832|3.466420|2.789123|3.492623|2.302210|4.044989|2.844444|1.858899|1.694693|1.722818|1.925850|5.704760|7.955739|6.725926|3.627754|3.238228|2.623435|2.384924|2.525224|3.057354|15.740040|5.109690|0.091847|0.111061|0.097655|0.109759|0.101531|0.156521|0.115384|0.103975|0.500000| |3.236137|4.187742|3.981666|0.090553|4.642214|7.343658|8.908197|5.397757|0.140099|4.239663|17.562498|12.354376|5.887405|5.086121|4.952079|0.095369|3.221591|2.578687|3.239218|2.519626|3.115706|2.224986|4.013708|2.742363|1.827851|1.677148|1.677806|1.935247|6.895190|8.800926|9.376037|4.756429|4.347631|3.315809|2.883919|2.990757|3.678700|18.435479|4.149821|0.079170|0.088144|0.084250|0.115205|0.114196|0.222558|0.121247|0.097492|0.304626|0.500000| |3.220150|3.491534|3.129244|0.075061|2.963973|3.542305|4.615590|4.708662|0.164562|3.856662|5.714985|12.578534|17.631001|8.810568|10.102463|0.222044|6.609375|4.720745|5.123261|3.873152|4.728612|3.168447|5.626242|3.635426|2.270199|2.106927|2.021753|2.276576|7.512755|14.128318|6.799618|3.880272|3.097098|2.605035|2.561961|2.950935|3.730830|16.818029|3.102611|0.075664|0.093849|0.090816|0.073072|0.076031|0.090239|0.106676|0.102559|0.153045|0.129005|0.500000| |3.698160|4.133744|3.423606|0.080593|3.256626|3.999368|5.483928|5.479053|0.197017|3.973105|7.362443|12.588588|17.607149|8.822175|8.680258|0.195721|4.777845|3.733806|4.477313|3.659701|4.661017|2.800353|4.827939|3.359041|2.115262|1.927768|1.936381|2.131537|5.837637|9.317832|5.955326|3.349622|2.837957|2.376972|2.266778|2.500049|3.053335|15.105943|3.871430|0.085880|0.112028|0.098508|0.081865|0.080170|0.100791|0.103980|0.102441|0.241794|0.153065|0.303561|0.500000| |2.595873|2.897529|2.566433|0.062359|2.604390|3.201719|3.893309|3.487636|0.108164|2.816684|5.476277|8.689591|8.743508|17.620033|12.355058|0.208570|5.637444|4.184693|5.466613|4.777481|7.599592|3.494758|5.916967|4.212730|2.613620|2.275922|2.370885|2.713450|4.980576|8.625466|5.260651|3.135660|2.732702|2.324241|2.215334|2.411923|2.874673|14.923379|2.900038|0.063831|0.076571|0.069076|0.067645|0.066134|0.087762|0.077234|0.072460|0.174578|0.142489|0.175363|0.224101|0.500000| |2.425448|2.721088|2.529643|0.061565|2.597139|3.210090|3.840765|3.380820|0.103053|2.867798|5.343914|10.054627|8.778716|17.700050|12.422130|0.183851|7.498106|4.763756|5.797572|4.475102|6.512291|3.869302|7.013000|4.418077|2.772262|2.457685|2.412201|2.952341|6.940357|13.470770|6.696999|3.997826|3.313971|2.781036|2.685794|3.010164|3.714996|17.606144|2.614920|0.059685|0.069519|0.066206|0.066081|0.067731|0.089079|0.081908|0.073622|0.144814|0.145263|0.196656|0.175298|0.300846|0.500000| |2.025944|2.169591|2.052625|0.051412|2.055256|2.391828|2.749258|2.599247|0.079552|2.337501|3.349230|5.868018|5.156035|7.008296|12.361834|0.181573|17.659500|8.843325|9.484390|5.847641|7.040178|6.422416|12.725820|6.225304|3.688196|3.309816|2.972943|3.814093|4.587396|10.494043|4.881617|3.275860|2.737538|2.445263|2.498715|2.885885|3.396555|16.974636|2.056310|0.050543|0.058157|0.056624|0.052644|0.054800|0.065701|0.067044|0.062422|0.090944|0.090132|0.149983|0.116117|0.150253|0.227149|0.500000| |2.344600|2.480698|2.330338|0.057999|2.267745|2.622616|3.109735|3.066095|0.097353|2.754024|3.705043|6.963798|6.603500|7.119500|12.279713|0.222111|17.676550|8.724451|7.599180|4.931851|5.609180|4.603573|8.582897|4.794541|2.897659|2.716067|2.450405|2.875646|5.447641|13.335386|5.451091|3.535592|2.844498|2.505548|2.574343|3.049775|3.724979|17.238399|2.276375|0.057464|0.067495|0.066670|0.057139|0.060193|0.069894|0.078746|0.074682|0.099148|0.094367|0.234353|0.142097|0.142778|0.196183|0.302179|0.500000| |1.837651|1.892120|1.792189|0.045810|1.746637|1.950731|2.210189|2.202801|0.067882|2.040400|2.514419|4.184371|3.643408|4.123346|7.611484|0.145823|8.966950|17.686286|12.480405|5.718521|4.956368|7.529996|14.244669|6.804323|3.880231|3.822359|3.097392|3.535040|3.214093|6.977338|3.643274|2.532633|2.165686|2.003962|2.100013|2.427993|2.729589|14.840399|1.776187|0.046236|0.053078|0.052242|0.044987|0.046874|0.052716|0.057867|0.056321|0.069098|0.066326|0.114312|0.089579|0.097488|0.114919|0.214392|0.210888|0.500000| |2.047828|2.077263|1.917294|0.048836|1.836593|2.047890|2.365787|2.415687|0.076438|2.185223|2.692168|4.471222|4.171625|4.600204|9.412174|0.211729|8.829696|17.524278|12.546372|7.148921|5.831919|5.805390|9.231816|5.982722|3.338239|3.150639|2.858154|3.009997|3.230811|6.721835|3.599453|2.412732|2.068491|1.885187|1.937201|2.209435|2.519868|13.621628|1.951408|0.051104|0.060317|0.058068|0.047371|0.048593|0.054554|0.060641|0.060795|0.075948|0.069137|0.134014|0.106557|0.109551|0.116695|0.173273|0.210515|0.302542|0.500000| |1.734955|1.794258|1.643710|0.042004|1.625039|1.827336|2.055326|2.005502|0.061174|1.780816|2.397733|3.669257|3.259494|4.124652|7.608110|0.145415|4.943544|5.696350|12.374939|17.671596|8.964655|7.192190|9.013701|10.365307|4.966439|3.833790|4.605215|4.289900|2.551046|4.933519|2.967733|1.994741|1.793259|1.642514|1.644089|1.794116|1.993942|11.762086|1.779557|0.044254|0.051304|0.047550|0.043043|0.042726|0.050103|0.049068|0.048314|0.070472|0.064338|0.089579|0.087629|0.115812|0.106579|0.130911|0.108552|0.127347|0.144751|0.500000| |1.955944|1.992471|1.799698|0.045863|1.744546|1.954003|2.240932|2.247011|0.070259|1.977665|2.594391|4.055618|3.794332|4.570333|9.319531|0.208712|5.760001|7.103968|12.510170|17.536992|8.838723|5.720047|7.876017|6.990501|3.677767|3.162422|3.373970|3.246795|2.765849|5.372229|3.152531|2.085410|1.845963|1.677335|1.682530|1.856500|2.091679|11.939783|1.948398|0.049360|0.058582|0.053949|0.045870|0.045589|0.052625|0.053960|0.054244|0.076696|0.067521|0.108285|0.103994|0.123187|0.110664|0.134124|0.128744|0.144722|0.213060|0.303731|0.500000| |2.147662|2.274085|2.027933|0.050788|2.014957|2.336364|2.711075|2.591774|0.080272|2.196753|3.345489|5.119745|4.891906|7.078129|12.352962|0.225655|5.601970|4.971825|7.624238|8.777801|17.610716|4.515266|6.869845|5.659681|3.266166|2.713884|3.021024|3.218728|3.300390|6.136732|3.705330|2.370895|2.110680|1.874047|1.832113|1.993041|2.282778|12.777330|2.286648|0.053926|0.064232|0.057804|0.053215|0.051953|0.063847|0.059870|0.058496|0.103137|0.088321|0.122932|0.135338|0.231993|0.159295|0.143589|0.126287|0.109041|0.131020|0.212448|0.214636|0.500000| |1.948574|2.087446|1.921247|0.048223|1.940018|2.261432|2.579055|2.409897|0.073221|2.100321|3.198906|5.063833|4.549521|7.064797|12.421901|0.182286|6.997522|5.808665|9.363490|8.775224|17.613705|6.202332|9.588647|7.274561|4.110104|3.288068|3.532492|4.280203|3.508513|6.842863|3.933185|2.580274|2.283169|2.040525|2.015221|2.209316|2.523403|14.017473|2.067626|0.049129|0.056963|0.053074|0.050903|0.050858|0.062836|0.058629|0.055675|0.093338|0.087488|0.117331|0.114339|0.198490|0.193822|0.211495|0.143743|0.129793|0.134216|0.214621|0.172967|0.300369|0.500000| |1.485122|1.527624|1.429467|0.036924|1.416723|1.570372|1.732433|1.695004|0.050963|1.548591|1.970542|3.005360|2.543321|3.042637|5.213739|0.099843|3.985328|4.976312|10.695209|6.976866|4.830959|9.585952|11.012442|26.027113|9.060876|6.408100|7.793518|5.761986|2.178037|4.274757|2.600624|1.806323|1.638007|1.533426|1.560517|1.703293|1.848087|11.383187|1.501811|0.038229|0.043340|0.041130|0.037539|0.037767|0.043267|0.043138|0.042296|0.056416|0.053532|0.071722|0.067251|0.082492|0.083297|0.111491|0.091487|0.128095|0.122547|0.241502|0.158113|0.115482|0.134626|0.500000| |1.268872|1.301005|1.243358|0.032449|1.235630|1.350257|1.462597|1.434092|0.042499|1.346354|1.623657|2.460055|1.993912|2.268029|3.625828|0.070055|2.961942|3.562853|5.913195|3.582714|2.963528|5.657886|9.344033|9.512600|8.781482|17.543266|6.939260|5.485430|1.843608|3.635532|2.266150|1.627132|1.492203|1.431994|1.484822|1.617354|1.703660|11.106405|1.267762|0.032933|0.036524|0.035477|0.032735|0.033403|0.037344|0.037917|0.036978|0.045479|0.044521|0.057062|0.052274|0.060408|0.064164|0.085447|0.072883|0.105103|0.089141|0.105585|0.089609|0.073022|0.085030|0.184544|0.500000| |1.201234|1.242169|1.196213|0.031236|1.201161|1.314977|1.410658|1.366517|0.040093|1.287825|1.567644|2.353657|1.869222|2.134122|3.292936|0.062602|2.665965|3.001972|4.799685|3.038302|2.682132|4.632789|8.349004|7.577556|8.820217|17.561201|6.933423|6.871061|1.779395|3.486694|2.216950|1.609944|1.493479|1.444952|1.497850|1.615419|1.681883|11.301489|1.215656|0.031280|0.034366|0.033487|0.031903|0.032609|0.036693|0.036466|0.035148|0.043677|0.043549|0.052807|0.048784|0.057262|0.061602|0.079530|0.066262|0.088113|0.074295|0.089844|0.075065|0.066802|0.079717|0.135945|0.301591|0.500000| |1.320307|1.367130|1.316993|0.034235|1.317600|1.450430|1.570266|1.524070|0.045034|1.435806|1.756155|2.694556|2.160799|2.483075|3.930414|0.073884|3.361007|3.919969|6.213495|3.595084|3.131128|6.589048|13.257545|9.337538|8.770384|17.618195|5.504713|6.866566|2.062651|4.139281|2.532942|1.839845|1.678079|1.615781|1.690173|1.855773|1.949065|12.604613|1.324659|0.034139|0.037759|0.036989|0.034724|0.035774|0.040298|0.040826|0.039232|0.048598|0.048490|0.061939|0.055515|0.065003|0.072255|0.101628|0.082478|0.120861|0.093210|0.101634|0.087208|0.075264|0.092972|0.154272|0.300643|0.301339|0.500000| |1.310383|1.359725|1.281317|0.033243|1.289421|1.426111|1.542764|1.484597|0.043783|1.361695|1.747448|2.575885|2.096782|2.490946|3.881945|0.073586|2.839026|3.108053|5.482958|4.095383|3.547837|4.833942|7.220229|9.817046|8.765120|5.498999|17.550785|6.952013|1.865695|3.561551|2.291501|1.608111|1.495670|1.412797|1.423439|1.518927|1.621473|10.523574|1.359598|0.034105|0.037996|0.035966|0.034551|0.034477|0.039862|0.037993|0.036881|0.050124|0.048540|0.057400|0.056003|0.070233|0.069773|0.082944|0.068078|0.082208|0.078298|0.141145|0.097943|0.092049|0.106556|0.202439|0.141295|0.141121|0.122778|0.500000| |1.196916|1.239078|1.180306|0.030786|1.188630|1.304507|1.399089|1.349614|0.039567|1.255133|1.564473|2.305905|1.844577|2.137802|3.276660|0.062501|2.487368|2.735043|4.575539|3.196876|2.821494|4.143262|6.696324|7.721975|8.823991|6.918540|17.588646|6.938599|1.698919|3.256656|2.114161|1.508577|1.411086|1.350610|1.373503|1.462715|1.538633|10.293218|1.231523|0.031268|0.034474|0.033031|0.031832|0.032020|0.036509|0.035212|0.034104|0.044329|0.043587|0.051045|0.048988|0.059264|0.060694|0.073200|0.061053|0.075423|0.069072|0.101872|0.078703|0.072657|0.084246|0.151164|0.171130|0.207786|0.141143|0.301470|0.500000| |1.262047|1.295583|1.223904|0.031906|1.220369|1.336960|1.447406|1.412433|0.041806|1.307370|1.617222|2.401196|1.959955|2.266779|3.593976|0.069727|2.715774|3.131011|5.488668|3.834950|3.143449|4.810030|7.160466|9.741749|8.749085|6.926260|17.525857|5.504376|1.751552|3.371147|2.153445|1.520677|1.408275|1.338579|1.362117|1.462670|1.553385|10.137246|1.283866|0.032875|0.036601|0.034891|0.032614|0.032730|0.037096|0.036465|0.035723|0.046128|0.044482|0.054749|0.052415|0.062608|0.062989|0.077542|0.065977|0.085110|0.080324|0.126147|0.095655|0.080595|0.090256|0.227506|0.208443|0.171611|0.141110|0.300144|0.302439|0.500000| |1.400408|1.478762|1.423315|0.036671|1.449291|1.625674|1.756821|1.659123|0.048674|1.541832|2.017063|3.080160|2.441711|2.954235|4.507512|0.080515|3.705032|3.824252|6.147141|3.891612|3.748516|6.592591|13.603129|9.348553|8.760806|6.876202|5.511343|17.628532|2.356251|4.690830|2.887664|2.084483|1.913625|1.822421|1.872761|2.031938|2.156687|13.747678|1.449032|0.036132|0.039964|0.038815|0.038271|0.039231|0.045835|0.044006|0.041442|0.055862|0.056886|0.067601|0.061935|0.078642|0.089481|0.121744|0.088273|0.108907|0.088179|0.112325|0.089269|0.089323|0.123060|0.141420|0.140308|0.170063|0.205054|0.141334|0.141510|0.122685|0.500000| |1.261662|1.325104|1.274879|0.033069|1.298944|1.441981|1.542201|1.462382|0.042634|1.363389|1.746079|2.599532|2.044491|2.414713|3.617076|0.066609|2.831838|2.963407|4.781677|3.221188|3.048233|4.646098|8.438621|7.617647|8.850590|6.871508|6.988854|17.567932|1.958390|3.798562|2.443376|1.765748|1.651570|1.585986|1.619173|1.726323|1.809058|12.090815|1.310721|0.032818|0.036039|0.034850|0.034603|0.035173|0.040739|0.038692|0.036730|0.048769|0.049353|0.056245|0.053037|0.066038|0.071335|0.088206|0.069222|0.083241|0.071801|0.097353|0.076590|0.076251|0.096592|0.127493|0.140604|0.205295|0.169206|0.172785|0.209767|0.141857|0.301716|0.500000| |1.397951|1.477103|1.406160|0.036202|1.434880|1.612754|1.742920|1.640461|0.048108|1.504785|2.014105|3.010229|2.409149|2.967819|4.496850|0.080718|3.397122|3.467398|5.868472|4.155938|4.040410|5.717056|9.613099|9.636091|8.796692|5.487296|6.964279|17.545887|2.230491|4.316846|2.732810|1.933867|1.793589|1.690912|1.704584|1.823315|1.950866|12.480896|1.469371|0.036173|0.040157|0.038389|0.038203|0.038537|0.045590|0.042522|0.040313|0.056874|0.056957|0.065230|0.062375|0.082462|0.087679|0.107372|0.080220|0.092965|0.082570|0.129981|0.094139|0.099789|0.135804|0.154338|0.122867|0.140442|0.140384|0.209512|0.171461|0.141506|0.300216|0.301482|0.500000| |3.188531|4.022849|4.393437|0.100305|5.082377|7.274151|7.828429|5.516539|0.137920|5.294485|7.857923|10.558730|4.914258|4.024915|4.317620|0.084126|3.096278|2.502712|3.033447|2.249144|2.645823|2.105400|3.905250|2.554719|1.719208|1.620886|1.557723|1.810737|9.449497|10.849490|26.065473|9.277980|7.419640|4.858578|4.083967|4.320529|5.829343|23.992830|3.518219|0.077771|0.082969|0.088175|0.114428|0.139691|0.199973|0.179996|0.118537|0.150839|0.226523|0.125393|0.119725|0.101983|0.119726|0.086727|0.096133|0.066685|0.067223|0.056944|0.060541|0.071798|0.074085|0.049613|0.043110|0.042179|0.047601|0.044230|0.040725|0.041499|0.054069|0.046491|0.051975|0.500000| |2.366919|2.840276|3.190719|0.078666|3.846003|4.678658|4.232560|3.365384|0.085467|3.452227|4.261093|5.614387|3.175537|2.936120|3.341991|0.064195|2.467679|2.072647|2.582928|1.888435|2.167349|1.857884|3.497569|2.293145|1.587860|1.510346|1.442912|1.703503|4.923818|7.291524|10.005062|8.905676|17.707499|8.955644|5.671390|4.967970|5.646097|31.643236|2.635356|0.060532|0.061701|0.065442|0.094060|0.115876|0.149791|0.113326|0.082675|0.096478|0.136582|0.083132|0.079618|0.076906|0.090194|0.071736|0.073902|0.056518|0.054856|0.048926|0.050204|0.058540|0.062429|0.044209|0.039836|0.039900|0.044399|0.040810|0.038275|0.038170|0.051047|0.044502|0.048670|0.220749|0.500000| |1.878880|2.143718|2.399493|0.062074|2.731380|2.992968|2.783012|2.428302|0.063353|2.570907|2.777504|3.824212|2.360848|2.254094|2.714569|0.052349|2.069739|1.802453|2.263268|1.622003|1.802525|1.661774|3.168959|2.067574|1.460931|1.416319|1.327496|1.570828|3.312044|5.483059|5.724888|5.634737|8.919808|17.751669|8.922177|5.650584|4.946037|53.710409|1.998254|0.049003|0.049225|0.052762|0.069271|0.083656|0.090372|0.082516|0.064974|0.067076|0.084157|0.064078|0.059862|0.059049|0.068872|0.060647|0.061442|0.050317|0.047593|0.042453|0.043074|0.048207|0.052150|0.039768|0.037307|0.037840|0.041841|0.037150|0.035616|0.035135|0.047237|0.041661|0.044208|0.114605|0.215852|0.500000| |1.847313|2.009134|2.157018|0.055816|2.230374|2.433131|2.504832|2.360715|0.065469|2.495703|2.582295|4.008379|2.635625|2.513810|3.208715|0.061890|2.667306|2.344506|2.806941|1.911249|2.061858|2.067475|4.091361|2.480093|1.735185|1.734041|1.529355|1.831778|3.735336|7.218077|5.638200|5.652544|4.971168|5.654327|8.939659|17.749166|8.932820|53.805998|1.811374|0.047251|0.049353|0.053575|0.055565|0.065203|0.067831|0.079507|0.066649|0.063366|0.072668|0.076920|0.064512|0.062401|0.077241|0.078147|0.082734|0.068555|0.061330|0.048943|0.050681|0.053077|0.059027|0.047268|0.045799|0.045702|0.052807|0.041889|0.040717|0.040749|0.056502|0.047993|0.050018|0.099004|0.107821|0.124345|0.500000| |2.307947|2.550186|2.681821|0.067076|2.728225|3.116349|3.407656|3.195327|0.090970|3.283616|3.635023|6.234956|3.952704|3.580633|4.416362|0.084694|3.729992|3.050595|3.491871|2.391113|2.661650|2.480641|4.867619|2.893295|1.955089|1.911206|1.710006|2.046100|6.741937|14.389927|9.518491|8.910975|5.650916|4.951188|5.660835|8.947349|17.817671|31.624842|2.246409|0.057396|0.062023|0.067139|0.066190|0.077519|0.084614|0.106176|0.086453|0.086178|0.098865|0.119186|0.091554|0.084524|0.111418|0.107171|0.124250|0.087195|0.079750|0.059584|0.063496|0.067797|0.075132|0.055181|0.050635|0.049358|0.058100|0.047251|0.044732|0.045620|0.063168|0.052335|0.056597|0.146521|0.124117|0.107539|0.215962|0.500000| |7.072380|8.832780|6.341472|0.163260|5.576957|4.856367|4.775200|5.320651|0.125622|4.553459|3.777021|4.205697|2.853556|2.432002|2.901633|0.061473|1.925746|1.726402|2.207256|1.729647|1.936614|1.493700|2.621140|1.906031|1.282996|1.204822|1.223342|1.303058|2.651743|4.110319|3.634605|2.287868|2.214560|1.934528|1.772982|1.808147|2.031655|12.391967|17.541362|0.215237|0.175060|0.142822|0.176093|0.120148|0.114130|0.104325|0.114180|0.110412|0.094838|0.073653|0.088578|0.069417|0.063229|0.051144|0.056149|0.044955|0.049130|0.045186|0.049181|0.056686|0.051535|0.038584|0.032902|0.031604|0.034232|0.035207|0.032053|0.033362|0.037198|0.033920|0.037747|0.083787|0.066226|0.051742|0.046493|0.056188|0.500000| 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