Version2.0 2019-11-16T01:11:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C63502487 RHF 6-31G(d) (6D,7F) CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C01[X(C28H40N5O3)] 222 C1 620 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH+](CCCC)CCCNC(=O)C1=CC2=[NH+]C(=O)[C@@H]([NH+]=C2C=C1)c3ccccc3NC(C)=O InChIKey=XYKAUQOZYRZXTR-SANMLTNESA-Q InChI=1S/C28H37N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)/p+3/t26-/m0/s1 InChI=1/C28H37N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)/p+3/t26-/m0/s1/fC28H40N5O3/h29-33H/q+3 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C01[X(C28H40N5O3)] 222 C01 620 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH](CCCC)CCCNC(=O)C1=C[C@H]2[C@@H](C=C1)N[C@H](C(=O)N2)c1ccccc1NC(=O)C CCCC[NH](CCCC)CCCNC(=O)C1=C[C@@H]2NC(=O)[C@@H](N[C@@H]2C=C1)c3ccccc3NC(C)=O InChIKey=LZTHOSCULAKCCS-ZNZIZOMTSA-N InChI=1S/C28H42N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,24-26,31,33H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)(H,32,36)/t24-,25+,26+/m1/s1 InChI=1/C28H42N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,24-26,31,33H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)(H,32,36)/t24-,25+,26+/m1/s1/f/h29-30,32H 3561.0079117588 -1579.568502 1-A 43236.1546 132 488 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.92398 -20.84793 -20.79207 -16.05442 -16.04052 -15.95713 -15.90326 -15.85582 -11.75619 -11.74987 -11.72808 -11.68123 -11.65369 -11.64799 -11.64442 -11.62743 -11.62019 -11.61256 -11.56450 -11.55992 -11.55961 -11.54238 -11.53807 -11.53170 -11.52147 -11.51261 -11.49112 -11.48664 -11.48456 -11.47128 -11.47042 -11.45570 -11.43779 -11.43439 -11.40200 -11.40093 -1.79812 -1.73565 -1.72130 -1.67874 -1.65914 -1.59426 -1.55280 -1.53368 -1.51504 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1504.98 1510.87 1525.14 1570.14 1570.91 1587.36 1603.91 1605.57 1615.59 1620.14 1621.21 1638.80 1653.89 1658.72 1660.02 1684.37 1704.85 1722.70 1745.85 1750.05 1758.15 1767.07 1840.95 1849.09 1866.43 1877.42 1882.63 1894.22 1902.17 1942.45 1947.35 1964.26 1967.65 1993.00 2006.67 2019.50 2041.76 2046.16 2048.06 2061.62 2064.04 2086.68 2093.64 2098.66 2102.37 2108.83 2116.24 2135.13 2137.87 2182.10 2193.95 2222.11 2225.87 2232.14 2242.79 2249.04 2255.09 2263.49 2264.64 2267.57 2279.86 2297.64 2301.24 2311.36 2334.84 2350.65 2350.93 2352.81 2354.08 2358.80 2361.85 2362.81 2363.26 2368.04 2372.35 2372.82 2383.74 2387.72 2389.05 2389.83 2441.97 2447.61 2551.80 2572.51 2589.87 2603.81 2631.45 2693.84 2803.54 2836.49 3114.70 4597.15 4598.49 4609.29 4619.19 4621.33 4624.07 4639.53 4647.15 4651.77 4654.67 4675.53 4686.89 4692.07 4710.06 4712.24 4715.34 4719.25 4720.57 4727.74 4738.65 4746.24 4746.97 4757.41 4771.73 4800.44 4801.53 4807.44 4818.27 4827.63 4868.14 4889.87 4895.90 4902.38 4914.43 4915.99 5303.44 5312.89 5328.42 5518.52 5573.86 0.709683 0.745202 0.746146 0.635157 -1578.858819 -1578.823300 -1578.822356 -1578.933345 3.722589D-04 MUNgauss RevisionA1.9 retrievium 16-Nov-2019 DUDE CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C63502487 RHF 6-31G(d) (6D,10F) C1 494.313081 |X|Y|Z| 60.648442 36.253628 195.559553 75.477363 16 6 7 14 2 |36.858105| |12.465810|36.858105| |7.494874|12.413157|36.858105| |4.896060|7.546632|12.487440|36.858105| |3.757269|4.904353|7.533123|12.575751|53.358707| |3.815685|4.742366|7.491395|9.287815|25.708075|0.500000| |3.402042|4.184623|5.926801|7.594003|17.062868|0.258326|36.858105| |2.886350|3.312752|4.441458|4.989183|10.233610|0.208377|12.495571|36.858105| |2.561746|2.845098|3.563705|3.820981|6.668242|0.131962|7.553310|12.408948|36.858105| |2.216486|2.388616|2.902168|3.025159|5.108714|0.106111|4.898345|7.493085|12.468095|36.858105| |3.020836|3.813548|4.987729|7.600031|17.265279|0.258194|7.638985|5.920932|4.178958|3.392129|36.858105| |2.876356|3.532327|4.401557|5.902378|10.222964|0.205240|4.972302|4.396530|3.287411|2.859017|12.435812|36.858105| |2.365461|2.818794|3.290181|4.177110|6.705067|0.131250|3.840961|3.557315|2.841260|2.549139|7.607279|12.417215|36.858105| |2.181728|2.527587|2.857774|3.398720|5.146695|0.105643|3.047794|2.905408|2.392390|2.210973|4.970916|7.599237|12.980910|53.358707| |2.025905|2.287382|2.596754|2.967193|4.576104|0.097317|2.802185|2.791931|2.318439|2.202741|4.167841|5.880278|7.819067|19.328816|36.858105| |2.022232|2.265671|2.626314|2.971584|4.772379|0.103899|2.975292|3.083008|2.533563|2.446947|4.284487|5.767402|6.845907|11.536898|15.968311|73.516695| |1.817623|2.010400|2.217416|2.455883|3.644069|0.077371|2.295038|2.290570|1.960821|1.888990|3.144737|4.087730|4.977465|10.526342|12.424412|14.498276|36.858105| |1.805245|1.989461|2.139989|2.346603|3.351712|0.070544|2.104070|2.056060|1.777276|1.698032|2.831199|3.624280|4.247085|8.589122|7.190573|9.261233|12.855127|36.858105| |1.633431|1.772799|1.880507|2.026502|2.864788|0.060226|1.836062|1.804537|1.586495|1.529291|2.363314|2.893337|3.284037|5.982763|4.916785|7.089964|7.711167|14.297705|36.858105| |1.494267|1.606975|1.713385|1.833414|2.625725|0.055397|1.714676|1.714283|1.522555|1.488243|2.150533|2.567975|2.897542|5.043551|4.356952|6.733759|6.709719|7.932700|13.118512|36.858105| |1.371261|1.461845|1.544341|1.637753|2.327394|0.048956|1.538699|1.539983|1.384148|1.358981|1.881273|2.193687|2.434703|4.058454|3.378851|5.407641|4.639611|5.321964|7.918250|14.984358|53.358707| |1.351309|1.437385|1.504413|1.590219|2.234583|0.046842|1.476629|1.466886|1.321954|1.292434|1.796309|2.084438|2.295560|3.790125|3.054333|4.858169|4.038592|4.883686|7.356951|9.678413|25.674270|0.500000| |1.258574|1.333478|1.410937|1.489175|2.128570|0.044776|1.428097|1.444018|1.311560|1.300831|1.708772|1.952877|2.151010|3.468005|2.893704|4.821021|3.736455|3.901498|4.968824|7.662637|17.254870|0.249218|36.858105| |1.221518|1.299228|1.374531|1.460077|2.090823|0.043697|1.409452|1.423930|1.298437|1.287332|1.689640|1.916732|2.139288|3.424643|2.826358|4.698597|3.590426|3.692313|4.550266|6.575276|12.542291|0.202553|17.641073|0.500000| |1.284509|1.358586|1.452703|1.529737|2.214755|0.046954|1.491077|1.527471|1.385287|1.386612|1.774557|2.028303|2.219182|3.556244|3.070662|5.295284|3.928589|3.783259|4.457870|6.715377|10.624945|0.159537|12.583231|0.253575|36.858105| |1.231875|1.294158|1.384189|1.446533|2.096994|0.044596|1.423821|1.469172|1.341191|1.353139|1.662709|1.877761|2.022959|3.171115|2.717550|4.805620|3.314865|3.152059|3.572539|4.851546|7.394100|0.122979|7.839737|0.177893|16.471016|73.516695| |1.392831|1.486560|1.608357|1.711263|2.511401|0.053397|1.677907|1.726057|1.548164|1.547470|2.042390|2.373082|2.643678|4.338478|3.942606|6.832088|5.311792|4.653915|5.172420|7.973613|9.593128|0.142616|7.642438|0.188693|12.854524|15.021785|53.358707| |1.384124|1.475357|1.607786|1.709165|2.535911|0.054100|1.708279|1.779221|1.599911|1.614386|2.058271|2.368271|2.621892|4.203501|3.862405|7.029095|4.854437|4.038269|4.217104|5.723509|6.982029|0.112099|5.654271|0.147343|9.046170|13.886888|25.635078|0.500000| |1.506366|1.622558|1.758371|1.888787|2.767456|0.058775|1.817987|1.849427|1.637774|1.617082|2.282813|2.725602|3.100248|5.361930|5.036419|8.195017|7.931552|6.758142|7.495288|12.596687|10.852336|0.159401|6.582092|0.165827|7.757378|9.950731|20.238310|0.265741|36.858105| |1.651829|1.801455|1.985649|2.166235|3.239564|0.069072|2.099789|2.143597|1.865347|1.832634|2.736949|3.370466|3.955984|7.196187|7.820102|12.498763|14.216919|7.745223|6.577728|7.492475|7.050576|0.117489|4.406828|0.117139|5.024210|7.354160|10.812994|0.203085|13.245944|36.858105| |1.182247|1.241934|1.302752|1.361451|1.927776|0.040550|1.300228|1.312080|1.200011|1.191484|1.527224|1.725423|1.865844|2.947487|2.401739|4.037955|2.966035|3.158373|3.930388|5.187723|10.461443|0.206520|12.668488|0.246111|7.504532|11.462915|6.778212|0.114496|4.447926|3.331876|36.858105| |1.207443|1.260077|1.317584|1.364312|1.921471|0.040637|1.292107|1.302740|1.189352|1.180363|1.506972|1.706467|1.814293|2.859330|2.324430|3.923229|2.841669|3.068073|3.795853|4.728960|8.751302|0.183482|7.646765|0.155763|6.032819|10.021977|5.936383|0.102914|4.029229|3.122574|13.613910|36.858105| |1.137014|1.178778|1.224149|1.259211|1.761992|0.037207|1.191389|1.199320|1.101804|1.094219|1.369965|1.534825|1.615492|2.504958|2.003245|3.401862|2.374722|2.559801|3.063289|3.565549|6.099650|0.132788|5.051187|0.116049|4.289450|7.569226|4.537752|0.082126|3.123726|2.553585|7.876077|13.862653|36.858105| |1.057723|1.096917|1.136229|1.171213|1.637615|0.034405|1.114435|1.121364|1.036626|1.030497|1.274234|1.414141|1.494525|2.294073|1.817211|3.091931|2.124160|2.270377|2.674258|3.078469|5.205344|0.113384|4.456831|0.110151|3.741254|6.661472|4.007888|0.073677|2.744327|2.279845|6.872644|8.008060|13.700238|36.858105| |1.039754|1.083751|1.125570|1.168028|1.639726|0.034319|1.118555|1.126435|1.042944|1.037346|1.284736|1.422860|1.520336|2.334337|1.850324|3.143277|2.170324|2.300307|2.711575|3.185714|5.485587|0.117652|5.020997|0.131128|4.026472|7.056607|4.236245|0.077588|2.861260|2.353839|7.960738|6.929585|7.928038|13.822146|36.858105| |1.092681|1.145914|1.196975|1.250666|1.766373|0.036962|1.201036|1.211215|1.116687|1.110277|1.396222|1.556862|1.683376|2.614196|2.095250|3.542054|2.510001|2.647834|3.178937|3.931540|7.160236|0.148175|7.509859|0.199412|5.349322|8.892216|5.303914|0.094394|3.507847|2.777763|13.642928|7.874724|6.777063|7.874276|13.658800|36.858105| |1.056657|1.112357|1.163331|1.222691|1.732122|0.036056|1.183759|1.194425|1.105688|1.100123|1.376769|1.524534|1.664905|2.566918|2.045714|3.462653|2.422782|2.515346|2.952078|3.605691|6.229993|0.125627|6.329209|0.205236|4.778848|7.888750|5.030580|0.091356|3.325798|2.688600|7.634141|5.078413|4.511324|5.181554|7.963021|13.465411|53.358707| |1.054338|1.112627|1.170736|1.235158|1.764296|0.036710|1.211332|1.229799|1.140730|1.140310|1.408399|1.553730|1.707597|2.619683|2.107069|3.605515|2.478194|2.490785|2.848946|3.523268|5.774666|0.109938|5.970585|0.210590|5.075729|8.537541|5.439550|0.101402|3.461757|2.816237|5.956302|4.204445|3.662640|3.969145|5.330194|7.628818|18.840723|36.858105| |1.104499|1.167553|1.236774|1.306983|1.880968|0.039284|1.289237|1.316265|1.216232|1.219673|1.506657|1.671313|1.842873|2.845919|2.333598|4.024562|2.777540|2.722887|3.098006|3.986755|6.423126|0.115227|7.140883|0.256716|6.780394|11.339926|6.947340|0.129761|4.136539|3.270159|6.173303|4.364485|3.622926|3.698535|4.618525|6.574536|11.500103|15.818059|73.516695| |0.987245|1.041424|1.093393|1.154540|1.647680|0.034120|1.140195|1.157563|1.081953|1.083113|1.313471|1.431454|1.572245|2.372725|1.882035|3.237912|2.154140|2.150892|2.395238|2.831048|4.414489|0.085946|4.094426|0.137212|3.694940|6.384021|4.295680|0.082949|2.816573|2.404582|4.088939|3.188623|2.923203|3.222810|4.155812|5.060524|10.650554|12.659931|14.194823|36.858105| |17.560575|8.771982|6.786876|4.513724|4.948656|0.102603|3.474952|2.985289|2.710914|2.338898|2.883819|2.682957|2.223242|2.773515|1.910171|3.427958|1.712449|1.684558|1.529980|1.413121|1.770336|0.035508|1.202308|0.032471|1.232199|2.109654|1.817048|0.037033|1.434337|1.571805|1.130284|1.152337|1.086689|1.013516|0.997635|1.047634|1.382020|1.016269|1.893659|0.954383|0.500000| |17.552212|8.766944|6.786351|4.519715|4.950123|0.106667|3.222581|2.822095|2.474988|2.181374|2.957576|2.909010|2.380257|3.037095|2.095308|3.726951|1.889094|1.879150|1.701522|1.555666|1.940742|0.039011|1.306155|0.035035|1.336720|2.281821|1.972224|0.039976|1.567752|1.717192|1.228387|1.261448|1.187498|1.099539|1.076586|1.130566|1.481004|1.083778|2.022047|1.010695|0.301248|0.500000| |17.590872|8.820356|5.473741|4.071650|4.337593|0.088573|2.918876|2.504452|2.265150|1.982382|2.670309|2.569113|2.168725|2.753243|1.875709|3.300248|1.704802|1.711701|1.561748|1.427170|1.792940|0.036240|1.209282|0.032630|1.226909|2.091616|1.799175|0.036362|1.427420|1.551751|1.141570|1.167026|1.103717|1.029249|1.010738|1.058550|1.393310|1.018221|1.888732|0.955229|0.302311|0.302041|0.500000| |8.858276|17.537106|8.847800|6.936372|6.236342|0.117227|4.145336|3.213324|2.839063|2.354841|3.649387|3.264006|2.678912|3.235070|2.139637|3.761400|1.885298|1.864995|1.669473|1.518986|1.888514|0.037941|1.270602|0.034559|1.290744|2.186311|1.917824|0.038869|1.533133|1.697007|1.184388|1.196256|1.121215|1.048632|1.039466|1.098488|1.458053|1.073000|1.996533|1.009143|0.210964|0.172901|0.213515|0.500000| |8.852433|17.523013|8.836501|6.957147|6.236468|0.123266|3.736215|3.012137|2.571911|2.194368|3.800617|3.693917|2.965357|3.672979|2.407546|4.163178|2.126993|2.137803|1.897999|1.698800|2.097840|0.042272|1.393980|0.037674|1.411257|2.377809|2.101238|0.042279|1.697876|1.882577|1.297736|1.318593|1.231956|1.143944|1.128925|1.194419|1.574747|1.152696|2.147391|1.075857|0.172890|0.210539|0.213513|0.303471|0.500000| |6.882974|8.834161|17.502019|8.874744|9.382578|0.222286|5.206702|4.285022|3.376090|2.849305|4.805352|4.597957|3.366327|4.080316|2.770360|5.014006|2.365473|2.277607|1.994426|1.814697|2.216970|0.043977|1.483471|0.039897|1.534761|2.601687|2.318773|0.047312|1.866562|2.114012|1.368739|1.391914|1.290331|1.190703|1.175046|1.250172|1.644954|1.214609|2.288414|1.128309|0.169026|0.204138|0.140772|0.173565|0.211574|0.500000| |6.907782|8.860532|17.558995|8.806303|9.347519|0.191008|6.509594|4.920211|4.054436|3.225718|4.499720|3.831088|2.959268|3.498910|2.379476|4.347903|2.043452|1.954084|1.732774|1.599037|1.972809|0.039137|1.336465|0.036230|1.382292|2.355020|2.077359|0.042638|1.652606|1.858955|1.236970|1.249573|1.164171|1.083842|1.074656|1.140827|1.512488|1.121795|2.107121|1.051503|0.204871|0.169661|0.141121|0.212168|0.173766|0.302869|0.500000| |4.513525|6.820792|8.747557|17.616820|12.391932|0.183177|7.425291|4.691291|3.818177|2.965064|6.603356|4.902236|3.790805|4.186112|2.678434|4.745833|2.247113|2.157279|1.881885|1.710948|2.095045|0.041628|1.406665|0.038525|1.438534|2.420585|2.178735|0.044412|1.757453|1.999015|1.289486|1.286807|1.191730|1.114822|1.115193|1.192235|1.594305|1.184484|2.219814|1.113696|0.118892|0.110854|0.108398|0.205599|0.171030|0.172837|0.208443|0.500000| |4.551679|6.880394|8.854858|17.643458|12.314303|0.209827|5.614972|4.124821|3.233235|2.664435|7.532874|6.815344|4.720533|5.261926|3.258380|5.627379|2.687179|2.608276|2.224840|1.978100|2.389334|0.047496|1.578095|0.042924|1.610002|2.687214|2.456988|0.049670|2.016305|2.319375|1.438643|1.442301|1.327010|1.230906|1.227002|1.316622|1.748439|1.292697|2.429866|1.203647|0.111482|0.120260|0.109102|0.170806|0.208426|0.213576|0.173318|0.302340|0.500000| |3.893665|4.770732|6.875403|7.610073|12.335884|0.210690|17.670015|8.857180|6.894327|4.557467|5.656549|4.123430|3.251657|3.650076|2.480409|4.630549|2.081302|1.938495|1.710092|1.597052|1.965064|0.038678|1.342218|0.036717|1.396649|2.379349|2.118496|0.043895|1.678553|1.912011|1.231521|1.229428|1.139979|1.067263|1.067666|1.140379|1.526371|1.143261|2.154923|1.077682|0.114246|0.099761|0.091128|0.133753|0.112036|0.156502|0.241281|0.216463|0.149025|0.500000| |3.057766|3.774213|4.894977|6.572604|12.365486|0.183219|17.614516|8.739255|6.805797|4.507013|7.475864|4.693695|3.857551|4.090783|2.719430|5.063642|2.234852|2.055440|1.797183|1.678393|2.054690|0.040300|1.402792|0.038694|1.457018|2.467066|2.228926|0.046230|1.774502|2.044522|1.275822|1.260722|1.162868|1.092625|1.101226|1.183724|1.596526|1.202285|2.269083|1.136839|0.086147|0.079464|0.074876|0.108095|0.095749|0.118019|0.143569|0.203927|0.144133|0.302573|0.500000| |2.582731|2.963721|3.849124|4.478754|9.299297|0.190268|8.797124|17.535033|8.852497|6.900985|6.460564|4.840865|4.030498|4.389236|3.131131|6.299418|2.513545|2.208931|1.923720|1.836123|2.230499|0.043085|1.537952|0.042247|1.635927|2.789848|2.544166|0.053831|2.006688|2.360783|1.385768|1.368266|1.252379|1.170608|1.180556|1.276639|1.718699|1.306868|2.498817|1.228678|0.072844|0.070887|0.063167|0.079633|0.077080|0.105652|0.112276|0.116429|0.108720|0.173220|0.208298|0.500000| |3.051017|3.408446|4.665236|4.823528|9.389021|0.223348|8.881624|17.507531|8.840756|6.887336|5.209436|4.240541|3.362408|3.864871|2.781301|5.509067|2.301073|2.067911|1.819575|1.731255|2.117230|0.041136|1.458496|0.039695|1.550147|2.660983|2.380427|0.050142|1.869558|2.161043|1.329058|1.328124|1.223644|1.139339|1.139198|1.222350|1.631497|1.231254|2.346584|1.154199|0.088164|0.084691|0.072503|0.089158|0.085539|0.131736|0.145846|0.119922|0.111839|0.213526|0.172803|0.302480|0.500000| |2.750894|3.008896|3.738307|3.822743|6.243617|0.123782|6.971250|8.843752|17.538936|8.859753|3.741761|2.998668|2.573786|2.994134|2.122579|4.068236|1.819531|1.671622|1.500976|1.436339|1.785785|0.034969|1.242448|0.034097|1.306660|2.252695|1.972221|0.041413|1.531245|1.727144|1.143873|1.138326|1.059322|0.997100|1.000163|1.066178|1.433598|1.082212|2.043680|1.027169|0.082820|0.072971|0.067250|0.084185|0.073927|0.096596|0.123571|0.107539|0.088378|0.209159|0.170759|0.173764|0.211979|0.500000| |2.395237|2.692453|3.280830|3.647890|6.221930|0.117240|6.938663|8.842795|17.534115|8.854273|4.134325|3.190426|2.838843|3.218778|2.265961|4.355865|1.918978|1.743438|1.557772|1.494367|1.851971|0.036140|1.290259|0.035667|1.356520|2.328742|2.061853|0.043406|1.603569|1.823687|1.179273|1.163184|1.077718|1.017767|1.027683|1.101476|1.491430|1.132239|2.141367|1.078357|0.069812|0.063632|0.059655|0.076114|0.068320|0.084852|0.101245|0.105122|0.086884|0.171175|0.204966|0.211927|0.173599|0.303547|0.500000| |2.055773|2.190640|2.590643|2.675272|4.334515|0.088687|4.074095|5.473377|8.823263|17.592344|2.912033|2.484793|2.256422|2.694195|1.968511|3.842403|1.713491|1.553324|1.410720|1.377163|1.723311|0.033538|1.217526|0.033544|1.293824|2.251009|1.950356|0.041480|1.489330|1.670094|1.120516|1.109242|1.032581|0.976248|0.983439|1.049385|1.418415|1.080306|2.047204|1.031006|0.060628|0.055876|0.051621|0.060670|0.055918|0.070042|0.080053|0.074132|0.065965|0.109273|0.108254|0.141030|0.140858|0.213635|0.213513|0.500000| |2.061552|2.237115|2.700731|2.881021|4.937235|0.102538|4.512407|6.782642|8.768196|17.549391|3.456632|2.949776|2.690710|3.171073|2.345847|4.699448|1.999528|1.773970|1.594146|1.560744|1.934455|0.037363|1.364657|0.037618|1.462310|2.536215|2.236427|0.047915|1.713201|1.955053|1.242855|1.225431|1.131492|1.066094|1.076954|1.157507|1.565865|1.198559|2.288015|1.138706|0.059544|0.056688|0.051542|0.061071|0.057998|0.074372|0.081094|0.078050|0.071930|0.111537|0.118687|0.204607|0.169044|0.172920|0.210705|0.302189|0.500000| |2.277913|2.411023|2.942131|2.966255|4.949260|0.106888|4.522735|6.784644|8.770478|17.555347|3.215985|2.795413|2.460419|2.954206|2.186697|4.341271|1.886940|1.697949|1.532997|1.494477|1.858806|0.036063|1.308003|0.035774|1.399880|2.438002|2.122402|0.045252|1.625142|1.836573|1.201282|1.196224|1.110078|1.042212|1.045146|1.116414|1.498792|1.139206|2.169019|1.078437|0.067102|0.063063|0.056260|0.065060|0.061352|0.081990|0.091412|0.079052|0.072792|0.120408|0.110753|0.169454|0.204257|0.210882|0.172891|0.302235|0.301033|0.500000| |2.667637|3.234601|4.135576|5.622422|12.393988|0.211419|7.612088|6.851288|4.742564|3.870676|17.650385|8.854140|6.983535|6.334168|4.111198|7.879235|3.090330|2.708815|2.280612|2.116316|2.525578|0.048870|1.704697|0.047037|1.786667|2.988198|2.814427|0.058556|2.287847|2.760206|1.517809|1.489248|1.351943|1.261248|1.276909|1.391351|1.876819|1.421598|2.714536|1.330237|0.072194|0.072795|0.065991|0.087054|0.088085|0.111871|0.109546|0.144478|0.148036|0.149263|0.216038|0.239038|0.156575|0.111704|0.132589|0.090622|0.113336|0.099370|0.500000| |2.955362|3.800592|4.678278|7.396043|12.450052|0.182938|6.651803|4.918538|3.790439|3.062832|17.607601|8.737291|6.885948|6.247515|3.730423|6.558481|2.912782|2.690369|2.266926|2.051799|2.460981|0.048297|1.641265|0.045345|1.685031|2.800391|2.615958|0.053448|2.146344|2.532800|1.472425|1.447928|1.321208|1.235301|1.248598|1.354501|1.825819|1.369378|2.587826|1.283845|0.078033|0.078669|0.073855|0.104949|0.106513|0.119203|0.116811|0.204773|0.212020|0.145927|0.207610|0.143590|0.118489|0.096350|0.108511|0.075018|0.086100|0.079602|0.302621|0.500000| |3.165771|3.976707|4.812022|6.417529|9.235651|0.185946|4.456006|3.809778|2.942695|2.560261|8.756611|17.573660|8.855690|9.424993|5.242566|8.603026|3.920079|3.692480|2.951849|2.556813|2.983804|0.058545|1.929543|0.052326|1.978734|3.249692|3.108678|0.062485|2.636152|3.179070|1.719220|1.713717|1.547428|1.421916|1.422921|1.549287|2.052845|1.522498|2.893222|1.399736|0.079831|0.089402|0.078738|0.099953|0.120801|0.141380|0.110524|0.143124|0.237028|0.108496|0.116423|0.110682|0.104405|0.076739|0.079157|0.062721|0.072077|0.070231|0.173018|0.208071|0.500000| |2.823970|3.348730|4.244031|5.184665|9.314189|0.217948|4.767491|4.573791|3.357380|3.001116|8.842280|17.560010|8.866797|9.465587|6.322687|12.199443|4.310590|3.682755|2.946315|2.656906|3.074019|0.059079|2.019851|0.054598|2.132957|3.529725|3.428053|0.070529|2.881152|3.618468|1.780736|1.771141|1.587581|1.453786|1.457353|1.595824|2.114803|1.587099|3.056806|1.454096|0.073810|0.081078|0.069489|0.084420|0.095700|0.129760|0.104900|0.117923|0.156012|0.110901|0.119138|0.142122|0.128923|0.084554|0.087975|0.071505|0.086543|0.083262|0.213338|0.172647|0.301751|0.500000| |2.183348|2.560128|3.006005|3.741531|6.280829|0.123415|3.844858|3.732767|3.003366|2.734412|7.015718|8.811202|17.609643|12.477785|7.349450|13.094425|4.727635|3.841637|3.058053|2.802085|3.226367|0.061454|2.135130|0.059443|2.233378|3.639735|3.654889|0.075338|3.094632|3.995143|1.842834|1.777582|1.581389|1.469817|1.503674|1.670380|2.265928|1.727188|3.333488|1.598247|0.057895|0.060878|0.055602|0.068242|0.073235|0.084960|0.077312|0.096341|0.111288|0.088881|0.108692|0.122877|0.096238|0.073942|0.084140|0.066916|0.082075|0.072469|0.212339|0.172778|0.173587|0.211473|0.500000| |2.327962|2.805096|3.181743|4.115262|6.221805|0.116294|3.653736|3.266754|2.683718|2.380678|6.898318|8.804695|17.614257|12.613172|5.849336|8.964425|4.265963|3.889148|3.087500|2.702731|3.139790|0.061181|2.038818|0.056795|2.067552|3.348610|3.291582|0.066059|2.814058|3.449869|1.782465|1.726953|1.547733|1.442070|1.471111|1.623349|2.197905|1.650339|3.135487|1.531249|0.060586|0.064160|0.059960|0.075494|0.082726|0.087912|0.079274|0.108022|0.131440|0.087197|0.105768|0.100351|0.084405|0.068269|0.075921|0.059360|0.069203|0.063225|0.170694|0.204789|0.212751|0.173636|0.302505|0.500000| |2.094147|2.420231|2.660571|3.138755|4.554194|0.092022|2.742270|2.578911|2.169248|2.003737|4.259125|5.948230|9.031163|26.051940|9.376935|10.868066|7.298880|7.023181|4.814279|3.867371|4.239779|0.082020|2.610948|0.072081|2.604561|4.086893|4.251352|0.082272|3.898706|4.952821|2.221328|2.144607|1.879316|1.726296|1.761527|1.975240|2.645777|1.967704|3.765607|1.782264|0.054061|0.059256|0.054587|0.063697|0.072647|0.076712|0.066317|0.080331|0.100312|0.068167|0.076046|0.078129|0.069828|0.055992|0.060008|0.050398|0.058266|0.054545|0.109537|0.115182|0.165081|0.146878|0.188965|0.237731|0.500000| |1.945868|2.167115|2.312848|2.555735|3.579673|0.074820|2.207457|2.115226|1.816882|1.713268|3.032583|3.960550|4.593714|9.405344|6.687424|8.554314|8.636113|17.743367|9.178257|5.637744|5.800937|0.114436|3.256435|0.086444|3.132191|4.778751|5.021385|0.091760|4.896822|5.596151|2.754219|2.715521|2.329289|2.083136|2.095037|2.362521|3.064364|2.213841|4.228987|1.945715|0.049948|0.056202|0.051344|0.056268|0.065625|0.068293|0.057877|0.065017|0.080591|0.056638|0.059951|0.062595|0.058966|0.047695|0.049557|0.043504|0.049357|0.047505|0.078611|0.080894|0.116879|0.108493|0.109675|0.119596|0.233506|0.500000| |1.602948|1.731952|1.810496|1.937428|2.692026|0.056326|1.729778|1.685739|1.491186|1.432470|2.194193|2.645903|2.945382|5.162467|4.002886|5.912506|5.506446|9.023517|17.732570|8.733743|9.673596|0.217203|4.555219|0.116114|3.892891|5.697350|5.696765|0.097090|5.420826|4.798116|3.862179|3.815876|3.150860|2.753225|2.760466|3.172256|3.963705|2.730696|5.130569|2.313105|0.041557|0.046363|0.042896|0.045385|0.051816|0.053158|0.046251|0.050217|0.059268|0.045125|0.047122|0.049447|0.047213|0.039452|0.040728|0.036874|0.041223|0.039892|0.058341|0.059114|0.076361|0.073912|0.075531|0.078697|0.117478|0.218319|0.500000| |1.636463|1.782520|1.987153|2.168960|3.309499|0.070881|2.173195|2.262926|1.970919|1.959710|2.797638|3.379229|3.930955|6.688900|7.326254|14.100666|9.051734|5.530935|4.798680|5.413415|5.693943|0.097152|3.843874|0.103887|4.581958|7.083115|9.678807|0.215014|8.750681|17.734526|2.993643|2.809326|2.340589|2.113099|2.185811|2.553959|3.405959|2.674044|5.563956|2.322141|0.043577|0.047173|0.042501|0.046732|0.051208|0.058706|0.052169|0.055652|0.063603|0.054601|0.058674|0.070155|0.063363|0.050252|0.053427|0.049422|0.058731|0.054557|0.080226|0.071065|0.086059|0.102754|0.115506|0.093701|0.122354|0.123080|0.104913|0.500000| |1.286103|1.341853|1.407718|1.454338|2.050955|0.043622|1.370471|1.382824|1.254620|1.244032|1.606362|1.836706|1.941223|3.088798|2.540563|4.286131|3.147814|3.414954|4.255526|5.320969|9.347570|0.187920|7.123964|0.142157|6.288835|10.277078|6.489231|0.111287|4.501225|3.459513|8.863373|17.671854|9.002717|5.680864|4.978221|5.612698|5.593072|3.621403|6.924701|2.822736|0.034019|0.037496|0.034430|0.035207|0.039067|0.041564|0.036982|0.037876|0.042804|0.036192|0.036967|0.040351|0.039336|0.033343|0.033951|0.032350|0.035853|0.035133|0.043967|0.042620|0.051358|0.053358|0.052579|0.050895|0.063980|0.083159|0.117153|0.085428|0.500000| 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