Version2.1 2021-01-08T18:40:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[NH+](Cc2ccccc2Cl)[C@@H](c3cccs3)c4nnnn4C5CCCC5 C08666426 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[NH+](Cc2ccccc2Cl)[C@@H](c3cccs3)c4nnnn4C5CCCC5 C01[X(C25H27Cl1N5S1)] 171 C1 542 Clc1ccccc1C[NH+]([C@H](c1nnnn1C1CCCC1)c1cccs1)Cc1ccccc1 Clc1ccccc1C[NH+]([C@H](c1nnnn1C1CCCC1)c1cccs1)Cc1ccccc1 Clc1ccccc1C[NH+](Cc2ccccc2)[C@@H](c3sccc3)c4nnnn4C5CCCC5 InChIKey=MFROXXGQCVJDFE-DEOSSOPVSA-O InChI=1S/C25H26ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24H,5-6,12-13,17-18H2/p+1/t24-/m0/s1 InChI=1/C25H26ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24H,5-6,12-13,17-18H2/p+1/t24-/m0/s1/fC25H27ClN5S/h30H/q+1 c1ccc(cc1)C[NH+](Cc2ccccc2Cl)[C@@H](c3cccs3)c4nnnn4C5CCCC5 C01[X(C25H27Cl1N5S1)] 171 C01 542 Clc1ccccc1C[NH+]([C@H](c1nnnn1C1CCCC1)c1cccs1)Cc1ccccc1 Cl[C]1[CH][CH][CH][CH][C]1C[NH]([C@H]([C]1[N][N][N][N@@]1C1CCCC1)C1=[CH][CH]=[CH]S1)C[C]1[CH][CH][CH][CH][CH]1 Cl[C]1[CH][CH][CH][CH][C]1C[NH](C[C]2[CH][CH][CH][CH][CH]2)[C@H]([C]3[N][N][N]N3C4CCCC4)c5sccc5 InChIKey=QKVYJXISBYDXSR-DEOSSOPVSA-N InChI=1S/C25H27ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24,30H,5-6,12-13,17-18H2/t24-/m0/s1 InChI=1/C25H27ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24,30H,5-6,12-13,17-18H2/t24-/m0/s1 3671.0245943326 -2091.3848607 1-A 15214.3653 122 420 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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0.1964 0.2013 0.6759 0.8507 0.7253 0.7101 0.1909 0.8564 0.7994 0.6731 0.3370 0.6228 0.7987 0.2641 0.7635 0.8502 0.8365 0.7288 0.2237 0.3502 0.7357 0.3299 0.8499 0.7863 0.2225 0.6502 0.7746 0.4029 0.4521 0.2234 0.4265 0.8534 0.3578 0.3646 0.8565 0.3149 0.7302 0.4569 0.0227 0.2046 0.7858 0.6438 0.6738 0.8542 0.7051 0.4261 0.8498 0.8478 0.5511 0.6900 0.5570 0.8559 0.7922 0.6029 0.2603 0.8066 0.4393 0.3113 0.8151 0.4019 0.7858 0.7366 0.8547 0.8108 0.5759 0.7020 0.8300 0.8375 0.4547 0.7865 0.6092 0.8389 0.8301 0.7851 0.7369 0.8244 0.8442 0.7801 0.6022 0.1623 0.5387 0.4929 0.5235 0.8395 0.8474 0.8560 0.7848 0.7254 0.7565 0.4454 0.7407 0.8520 0.2237 0.5175 0.7136 0.8476 0.7440 0.7245 0.4232 0.3479 0.7541 0.2738 0.8556 0.2339 0.7175 0.8520 0.8031 0.6649 0.2636 0.0577 0.3745 0.6095 0.7548 0.7983 0.5469 0.8372 0.6318 0.8495 0.8526 0.4587 0.2063 0.2455 0.5815 0.3515 0.1373 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 6 6 6 6 6 6 6 7 1 6 6 6 6 6 6 6 17 6 1 6 6 6 6 16 6 7 7 7 7 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 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 9371.6392 20418.3190 24732.9818 0.99990 -0.01360 -0.00317 0.01365 0.99975 0.01788 0.00292 -0.01792 0.99984 1 0.00924 0.00424 0.00350 0.19257 0.08839 0.07297 14.77 20.59 37.66 39.56 51.22 59.78 72.17 85.05 91.53 96.31 105.54 136.36 148.49 174.14 210.85 237.01 253.52 291.31 356.12 378.26 382.61 400.89 405.31 413.62 488.42 499.50 570.38 586.83 603.53 649.33 653.14 673.56 699.72 737.92 767.15 780.42 822.85 831.78 853.23 913.53 931.37 971.94 975.80 979.42 1031.83 1051.14 1062.80 1095.98 1110.11 1152.21 1160.41 1176.10 1191.70 1202.55 1225.06 1238.54 1273.38 1291.65 1297.85 1317.50 1350.96 1352.02 1353.76 1374.67 1390.80 1410.41 1423.24 1439.05 1440.35 1446.59 1484.67 1499.85 1535.72 1561.26 1566.02 1567.13 1581.50 1592.17 1593.74 1605.17 1626.71 1628.53 1637.84 1640.47 1644.65 1647.95 1662.81 1681.36 1716.18 1732.11 1748.43 1751.39 1758.89 1773.52 1806.36 1819.65 1864.23 1875.57 1884.72 1891.03 1900.21 1900.73 1916.14 1931.87 1953.11 1955.92 1970.20 1978.75 2004.29 2041.75 2061.84 2069.79 2095.71 2100.19 2123.78 2133.72 2145.61 2148.64 2156.88 2190.19 2202.42 2236.65 2250.48 2266.48 2284.66 2304.65 2316.99 2322.00 2336.87 2351.81 2355.31 2360.93 2362.75 2378.91 2379.98 2389.89 2401.84 2408.66 2495.51 2523.45 2551.69 2571.83 2584.34 2603.05 4621.31 4651.94 4654.53 4657.42 4709.16 4725.09 4727.28 4729.18 4738.73 4753.01 4757.43 4762.28 4826.68 4829.80 4835.78 4851.82 4859.04 4866.91 4870.86 4873.02 4881.17 4894.14 4895.71 4911.56 4922.61 4964.30 5228.34 0.523652 0.550018 0.550962 0.460802 -2090.861209 -2090.834843 -2090.833899 -2090.924059 3.023981D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1ccc(cc1)C[NH+](Cc2ccccc2Cl)[C@@H](c3cccs3)c4nnnn4C5CCCC5 C08666426 RHF 6-31G(d) (6D,10F) C1 464.167571 |X|Y|Z| 99.398722 61.674015 39.121699 62.129841 31 6 7 16 25 5 1 |36.858105| |13.741672|36.858105| |7.940648|13.770846|36.858105| |6.849812|7.912060|13.689509|36.858105| |7.937893|6.878949|7.945173|13.728982|36.858105| |13.761494|7.945187|6.882383|7.918097|13.750145|36.858105| |4.438699|5.019635|7.552153|12.599023|7.581994|5.027286|36.858105| |3.719450|4.315526|6.135534|7.521032|5.246324|3.965602|12.509992|53.358707| |4.028794|4.925424|7.207782|7.596272|5.146653|4.086718|9.193903|25.589463|0.500000| |3.289061|3.572586|4.549017|5.602036|4.658918|3.619530|7.494519|17.000711|0.257593|36.858105| |3.661305|3.756802|4.521854|5.754540|5.420040|4.216240|6.312020|10.042013|0.186686|12.635269|36.858105| |3.362906|3.277895|3.782558|4.904182|5.194991|4.066324|5.345354|7.290010|0.131430|7.633575|13.695476|36.858105| |3.309215|3.078329|3.348220|4.145899|4.763230|4.059449|4.109180|5.420662|0.103585|5.036640|7.874953|13.768867|36.858105| |3.534631|3.235463|3.381793|3.972420|4.566382|4.211492|3.683553|4.974271|0.100336|4.436060|6.830094|7.968410|13.766894|36.858105| |3.881974|3.686471|3.868436|4.371551|4.706090|4.374018|3.945056|5.614272|0.119037|4.992733|7.882132|6.896637|7.936262|13.753189|36.858105| |3.958972|4.032068|4.572549|5.276302|5.111399|4.373541|4.991073|7.765473|0.167723|7.472081|13.679965|7.984217|6.889125|7.964416|13.792204|36.858105| |3.814958|4.219398|4.753333|4.748705|4.191461|3.801883|4.441145|7.518329|0.188384|6.147413|7.004870|4.765568|4.230641|4.784921|7.087853|10.960736|448.794386| |2.966854|3.432998|4.551554|4.996469|3.809463|3.077373|7.383680|16.882021|0.256646|7.696522|4.912460|4.000320|3.130061|2.875828|3.155214|4.048944|33.393114|36.858105| |2.681991|2.991919|3.811281|4.351010|3.529530|2.848330|6.425075|12.355461|0.183518|7.637250|4.834427|4.155109|3.195222|2.848568|3.033103|3.814990|29.720806|17.644095|0.500000| |2.899403|3.405203|4.479924|4.666994|3.564999|2.947790|6.467758|10.070848|0.179746|4.963589|3.727581|3.229747|2.651618|2.460705|2.653084|3.229494|26.800659|12.672263|0.252426|36.858105| |2.604053|2.951463|3.706081|3.972970|3.225815|2.692035|5.355841|7.270263|0.128069|4.064939|3.214223|2.942814|2.453271|2.242799|2.349814|2.767890|22.146960|7.513772|0.202581|14.085636|36.858105| |2.463390|2.799849|3.390418|3.456928|2.875560|2.489918|4.212847|5.497912|0.103521|3.183429|2.660849|2.465151|2.124283|1.976086|2.067441|2.376398|19.319838|5.055637|0.131963|8.202055|13.316691|36.858105| |2.593177|3.041364|3.672660|3.517202|2.869841|2.538430|4.054857|5.408241|0.107541|3.068463|2.595406|2.354493|2.050921|1.946953|2.071518|2.383881|20.028918|4.824879|0.117471|7.724186|8.271891|14.148582|36.858105| |2.956175|3.629913|4.636659|4.241551|3.259740|2.846390|4.928611|7.222128|0.152144|3.795170|3.101577|2.684555|2.300872|2.210551|2.420104|2.875725|25.225266|6.664423|0.142341|10.964882|7.445486|7.440546|11.075147|388.023441| |2.687025|3.129074|3.941312|4.001659|3.179466|2.702883|5.008090|10.643987|0.218418|6.343096|4.343793|3.466230|2.816083|2.682414|3.025182|3.874971|35.329028|12.655055|0.247003|7.689576|5.240153|4.076891|4.166033|42.420564|36.858105| |2.871091|3.421941|4.250573|4.059720|3.216518|2.806594|4.624616|9.434584|0.236813|5.773343|4.332985|3.350951|2.796651|2.763512|3.235090|4.187286|43.060771|7.763273|0.161821|5.766120|4.135875|3.473097|3.727907|38.852010|14.745210|53.358707| |2.440978|2.842545|3.335323|3.171532|2.639119|2.371779|3.499478|6.422697|0.149131|4.361316|3.502246|2.828642|2.433321|2.429550|2.813278|3.475899|35.624656|5.368104|0.125764|4.422997|3.443091|3.010505|3.234014|31.323610|9.086145|19.437878|53.358707| |2.175151|2.483601|2.901726|2.841067|2.402389|2.146959|3.232049|5.802578|0.124900|4.042824|3.193336|2.665769|2.285489|2.237534|2.519116|3.055327|29.044155|5.287188|0.131744|4.419527|3.561146|3.085382|3.226619|29.736822|8.953536|12.204153|20.711799|53.358707| |2.265577|2.580419|3.101103|3.134932|2.612277|2.276317|3.776185|7.026182|0.141662|4.759558|3.516753|2.946237|2.457606|2.344503|2.597906|3.194612|28.749931|7.463496|0.189020|5.798466|4.537624|3.691721|3.720401|34.408374|14.358062|12.167607|12.412600|19.529728|53.358707| |1.994050|2.222585|2.621916|2.703480|2.318183|2.027431|3.273971|5.620055|0.108006|3.951254|3.025053|2.665370|2.244990|2.107621|2.268243|2.703554|23.102149|5.843248|0.172259|5.073601|4.499008|3.680185|3.519931|29.203099|7.436476|7.240203|7.446130|10.644213|17.625356|36.858105| |1.807660|2.016944|2.330509|2.344580|2.031423|1.813043|2.741121|4.442088|0.087908|3.044764|2.461277|2.206923|1.909620|1.814973|1.945293|2.261585|19.531158|4.335945|0.121508|4.283934|3.993016|3.565593|3.498935|27.556309|5.222624|5.785814|6.275291|8.620851|10.312156|12.274515|36.858105| |1.610638|1.771227|2.005185|2.022525|1.791873|1.618416|2.313062|3.692688|0.073558|2.646904|2.206465|2.005544|1.762391|1.683624|1.794721|2.053019|17.653787|3.366008|0.096107|3.224048|3.060457|2.785737|2.731975|21.114530|3.989857|4.720705|5.318125|7.129351|7.441184|7.763816|12.408876|36.858105| |1.601489|1.739735|1.973482|2.034484|1.821481|1.632162|2.355371|3.774892|0.073587|2.818997|2.339486|2.152086|1.879076|1.773328|1.871346|2.140450|17.948402|3.401064|0.101929|3.117389|2.997531|2.642981|2.519418|19.404212|3.903546|4.519213|4.916617|6.404388|7.089605|7.836860|7.906166|12.441918|36.858105| |1.811709|1.979107|2.284165|2.380775|2.103274|1.856832|2.816921|4.734087|0.091206|3.620703|2.875237|2.584332|2.202712|2.066250|2.202953|2.584527|21.714935|4.388234|0.134425|3.723430|3.430730|2.886857|2.749775|22.125290|5.287620|5.794658|6.212460|8.457715|10.370187|12.329879|7.684341|7.942951|12.429538|36.858105| |17.729735|8.914179|5.648754|4.940912|5.646160|8.917685|3.550037|4.204754|0.092531|2.803433|3.113687|2.912109|2.942290|3.196541|3.467664|3.410748|26.833062|2.552945|0.064804|2.511054|2.285780|2.194937|2.316417|18.447931|2.361722|3.444656|3.001448|2.687301|2.765840|1.804231|1.654338|1.488468|1.476693|1.653855|0.500000| |8.906573|17.732881|8.938285|5.638313|4.956316|5.648096|4.094816|5.082166|0.119672|3.128155|3.218995|2.815130|2.665044|2.823413|3.226381|3.493613|30.950576|3.126801|0.075561|3.156179|2.739672|2.660387|2.960302|25.135737|2.953622|4.479888|3.814240|3.310653|3.373241|2.132221|1.967580|1.733686|1.683637|1.897154|0.214711|0.500000| |5.658335|8.970263|17.695925|8.855365|5.635861|4.955723|6.958842|8.775842|0.224640|4.490414|4.143954|3.414111|2.980515|2.991026|3.436165|4.142633|37.155749|5.137554|0.113672|5.262623|4.115237|3.794772|4.309291|42.475949|4.554405|6.848419|5.225715|4.467879|4.766484|2.890481|2.585552|2.185409|2.116387|2.454605|0.124490|0.217229|0.500000| |5.653530|4.955859|5.643802|8.902265|17.726541|8.941540|7.022896|6.709535|0.126864|4.710361|5.662555|6.117279|5.629777|4.953103|4.692877|4.961058|30.647636|3.666764|0.098365|3.381532|3.152895|2.771839|2.688444|21.165119|3.024156|4.055509|3.372186|3.128289|3.436656|2.284888|1.988657|1.766263|1.819507|2.101142|0.124330|0.107593|0.123751|0.500000| |8.914883|5.647636|4.957879|5.642074|8.930979|17.729841|4.102170|4.554534|0.094157|3.185000|3.765807|3.829160|4.048210|4.233540|4.147909|3.907877|26.703579|2.680665|0.070404|2.567670|2.393973|2.228811|2.248118|17.529115|2.380976|3.338970|2.880126|2.636677|2.784697|1.848788|1.661746|1.499462|1.520151|1.716087|0.214795|0.124115|0.107589|0.216278|0.500000| |3.975469|4.175792|5.572472|8.838353|7.296020|4.769817|17.661566|12.307707|0.184140|7.520853|6.752945|6.458726|4.717208|3.951585|4.002974|4.910968|32.294078|6.189770|0.171146|5.323774|4.854682|3.810083|3.518044|28.461975|4.342770|5.344324|4.224827|4.004364|4.690364|3.107543|2.586913|2.221179|2.310073|2.755806|0.090510|0.096062|0.139910|0.224261|0.113593|0.500000| |4.015607|4.633921|6.761270|8.919873|5.972993|4.357526|17.719887|12.346981|0.201969|5.674243|4.701652|4.181264|3.371744|3.056368|3.232183|3.919655|29.604537|7.500879|0.178966|8.185861|7.006178|5.402361|5.079756|42.365603|4.905252|5.965464|4.598822|4.334442|5.136465|3.347160|2.863859|2.370801|2.380461|2.800425|0.091312|0.108925|0.189653|0.154280|0.100839|0.303192|0.500000| |2.926420|3.112980|3.872523|4.811212|4.191091|3.267678|6.755481|12.419584|0.182521|17.646285|8.983554|7.491466|4.860888|4.030570|4.210950|5.602420|36.845724|7.348566|0.245646|4.900072|4.271295|3.259531|3.025112|25.384468|5.671095|6.506222|5.202026|5.100964|6.221015|4.083645|3.099746|2.703312|2.956371|3.810012|0.070196|0.076328|0.106197|0.123563|0.081750|0.214027|0.152081|0.500000| |2.957815|3.251098|4.010742|4.528472|3.818271|3.141249|5.557990|12.386385|0.230735|17.670066|8.891308|5.846689|4.290989|3.991507|4.646512|6.844674|53.434377|7.244142|0.195018|4.635699|3.744217|2.988052|2.930383|26.212369|7.394516|9.474782|7.233020|6.629647|7.649520|4.414881|3.307718|2.903227|3.105315|4.133322|0.071481|0.081550|0.114157|0.104964|0.077653|0.148216|0.127759|0.301323|0.500000| |3.028571|2.978795|3.469871|4.505821|4.676213|3.637480|5.315108|7.054238|0.121144|7.122485|8.916083|17.702851|8.956392|5.666318|4.963353|5.662619|31.503206|4.102571|0.124516|3.337842|3.133531|2.585113|2.410708|19.117791|3.435239|4.343642|3.690043|3.565658|4.032136|2.758364|2.270360|2.058311|2.235298|2.680845|0.073324|0.071714|0.088634|0.157268|0.095839|0.192990|0.119434|0.232728|0.150560|0.500000| |2.964470|2.728138|2.924778|3.571451|4.153787|3.634997|3.578326|4.615670|0.087590|4.115600|5.622649|8.926280|17.737842|8.906446|5.642940|4.962089|27.423136|2.780986|0.080014|2.414163|2.286081|1.998694|1.913139|14.934010|2.496727|3.334502|2.945657|2.806083|3.021541|2.070086|1.779498|1.653593|1.769880|2.045940|0.074544|0.066320|0.072886|0.139563|0.104201|0.115616|0.084395|0.115737|0.099262|0.216374|0.500000| |3.270056|2.931270|2.966160|3.379009|3.928966|3.838659|3.102555|4.140537|0.084129|3.548595|4.931020|5.656654|8.912429|17.734196|8.943209|5.665229|31.743320|2.477214|0.068240|2.169371|2.001631|1.790796|1.768645|14.087203|2.334640|3.280223|2.938592|2.721126|2.824513|1.885967|1.647776|1.541342|1.618981|1.859323|0.084843|0.072229|0.073261|0.117431|0.111937|0.091695|0.073626|0.091594|0.090858|0.124437|0.214219|0.500000| |3.800231|3.595273|3.605677|3.839600|4.091582|4.062928|3.392701|4.835975|0.105454|4.076025|5.631841|4.967415|5.641915|8.892916|17.756407|8.958898|54.518046|2.814428|0.074377|2.417751|2.143340|1.917469|1.944305|16.137345|2.769946|4.122327|3.667649|3.254458|3.283624|2.103545|1.832280|1.702293|1.758818|2.046795|0.097500|0.089801|0.089900|0.109687|0.108298|0.093299|0.079551|0.096685|0.109780|0.107754|0.123963|0.214903|0.500000| |2.447623|2.697962|3.325889|3.707007|3.124648|2.587949|5.076059|6.807505|0.115888|4.095806|3.242120|3.058775|2.529014|2.265882|2.331316|2.726370|21.150045|6.726114|0.213401|8.887435|17.718904|8.614392|5.747178|37.629728|4.713030|5.037569|4.275276|4.495089|5.753708|4.424387|3.820737|3.014465|3.066226|3.511954|0.059945|0.068989|0.098702|0.087571|0.064872|0.138470|0.173919|0.126482|0.103355|0.093269|0.066189|0.056155|0.058555|0.500000| |2.244756|2.495609|2.933256|3.016671|2.601024|2.282973|3.578487|4.590006|0.086548|2.779998|2.380824|2.254695|1.969439|1.827148|1.887859|2.133940|17.138777|4.040833|0.110124|5.716492|8.598477|17.766058|8.902082|37.662624|3.363766|3.969545|3.529517|3.644662|4.277234|3.231597|3.200653|2.578288|2.464290|2.624659|0.056221|0.066093|0.088703|0.070624|0.057629|0.093285|0.123110|0.080129|0.072552|0.066172|0.052114|0.046393|0.048782|0.202047|0.500000| |2.450275|2.859880|3.320036|3.105947|2.600261|2.362416|3.408559|4.510325|0.091614|2.646040|2.300072|2.103900|1.865283|1.788234|1.899659|2.151848|18.191277|3.834681|0.095065|5.427177|5.701468|8.767064|17.784715|55.618028|3.477688|4.403814|3.940796|3.909893|4.340941|3.037516|3.115427|2.501965|2.283976|2.440139|0.061759|0.079053|0.107017|0.067442|0.058599|0.083395|0.114213|0.072110|0.070792|0.059452|0.048598|0.045557|0.050050|0.122754|0.203432|0.500000| |2.066005|2.293566|2.740630|2.890101|2.468559|2.126104|3.630095|6.128109|0.112398|4.219011|3.167142|2.832566|2.352534|2.169794|2.304790|2.749856|22.742775|6.800720|0.222061|6.010667|5.598263|4.285240|3.882681|31.160745|7.192970|6.692327|6.295012|7.936446|12.722080|17.629821|8.762105|5.887928|6.297535|8.737933|0.051587|0.060421|0.083352|0.068215|0.053789|0.096898|0.105139|0.126404|0.124773|0.083208|0.060535|0.053731|0.058713|0.159598|0.103838|0.090620|0.500000| |1.764956|1.960090|2.263152|2.292317|1.995068|1.777819|2.697122|4.228929|0.082358|2.861940|2.333778|2.127687|1.845033|1.740351|1.844416|2.126143|18.005784|4.130622|0.118252|4.337171|4.321817|3.941233|3.737592|27.544052|4.544809|5.025452|5.179546|6.538829|7.958512|8.822864|17.565980|8.803761|6.638298|6.089201|0.044889|0.052980|0.069401|0.054513|0.045381|0.071242|0.079834|0.082326|0.083855|0.061478|0.048140|0.044029|0.048132|0.116226|0.100142|0.092267|0.232501|0.500000| |1.861860|2.103634|2.425681|2.385097|2.047921|1.842297|2.740483|4.437253|0.090284|2.959060|2.415141|2.141631|1.864950|1.793032|1.941087|2.257806|19.965803|4.274431|0.113228|4.365292|3.925711|3.629103|3.747435|30.462761|5.348602|6.234449|6.993104|9.499232|10.174225|8.668182|17.614483|8.659941|5.686525|5.782405|0.047401|0.057636|0.076023|0.054992|0.046664|0.070462|0.079926|0.081513|0.089331|0.060428|0.048060|0.045291|0.051186|0.100088|0.089130|0.093834|0.185791|0.302978|0.500000| |1.499136|1.641131|1.840565|1.851185|1.653523|1.503948|2.096567|3.263811|0.065052|2.325676|1.974547|1.817120|1.613024|1.542446|1.632989|1.845400|15.755810|2.920019|0.083272|2.886699|2.814996|2.638216|2.583619|19.305103|3.328177|4.016364|4.441806|5.608643|5.800459|5.629047|8.705155|17.590901|8.672532|5.646786|0.038688|0.044796|0.055506|0.045325|0.038880|0.056133|0.060142|0.066160|0.069627|0.051915|0.042341|0.039490|0.043194|0.077200|0.069139|0.066812|0.131988|0.220427|0.193977|0.500000| |1.602110|1.765872|1.984720|1.980509|1.756553|1.598649|2.229260|3.585315|0.072804|2.586868|2.180035|1.963584|1.737395|1.678698|1.805685|2.062990|18.086921|3.185394|0.088818|3.005390|2.783324|2.552163|2.560691|20.262449|3.911777|4.845747|5.759562|7.852348|7.294021|6.531737|8.806320|17.556909|8.833174|6.927331|0.041271|0.048318|0.060202|0.047827|0.041135|0.059091|0.062805|0.071994|0.080044|0.055292|0.045088|0.042770|0.047946|0.075208|0.065284|0.065774|0.136213|0.174705|0.219212|0.302168|0.500000| |1.559436|1.684401|1.910410|1.986957|1.789231|1.598994|2.316286|3.630442|0.069744|2.697093|2.249914|2.105213|1.839112|1.719003|1.792578|2.036464|16.751614|3.274420|0.100440|3.074423|3.068626|2.711440|2.524199|18.838683|3.557235|4.075694|4.272955|5.325847|6.108311|6.713753|6.874444|8.808134|17.526084|8.787515|0.039943|0.045113|0.056577|0.049991|0.041508|0.063793|0.065660|0.080131|0.080455|0.061550|0.048530|0.043695|0.046613|0.089245|0.071365|0.063508|0.172460|0.187825|0.138405|0.214898|0.173672|0.500000| |1.502756|1.620559|1.817144|1.870703|1.694827|1.531229|2.131768|3.384774|0.066543|2.576148|2.189343|2.028843|1.793759|1.702526|1.792119|2.026532|16.975869|2.936088|0.087268|2.679232|2.574075|2.299714|2.209780|16.988319|3.352180|4.032759|4.441160|5.594433|5.828014|5.627961|5.631060|8.666685|17.592262|8.719634|0.038712|0.043671|0.053699|0.047130|0.039852|0.058411|0.059262|0.074630|0.079094|0.058235|0.047112|0.043439|0.047051|0.073191|0.060066|0.056319|0.131299|0.135723|0.125351|0.197748|0.215344|0.302383|0.500000| |1.820147|1.990561|2.280000|2.351876|2.082791|1.853911|2.724712|4.642443|0.091894|3.626690|2.924390|2.586292|2.222424|2.116550|2.287483|2.689798|23.173561|4.112283|0.120620|3.423564|3.069279|2.622377|2.558906|21.071893|5.251289|6.147096|7.022694|9.808882|10.263412|8.823544|6.286409|6.848599|8.848724|17.583442|0.046296|0.053255|0.068040|0.057447|0.047595|0.073491|0.073988|0.102432|0.119521|0.073051|0.056904|0.052919|0.059492|0.085656|0.066033|0.063731|0.177136|0.135921|0.147120|0.138505|0.195981|0.174030|0.218791|0.500000| 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