Version2.0 2020-02-01T07:52:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCCC[NH+]1CCCN(Cc2ccc3c(c2)OCO3)C(=O)Nc4c(cccc4C(C)C)C(C)C C35106495 RHF 6-31G(d) (6D,7F) C[C@@H]1CCCC[NH+]1CCCN(Cc2ccc3c(c2)OCO3)C(=O)Nc4c(cccc4C(C)C)C(C)C C01[X(C30H44N3O3)] 234 C1 628 O=C(N(Cc1ccc2c(c1)OCO2)CCC[NH+]1CCCC[C@H]1C)Nc1c(cccc1C(C)C)C(C)C O=C(N(Cc1ccc2c(c1)OCO2)CCC[NH+]1CCCC[C@H]1C)Nc1c(cccc1C(C)C)C(C)C CC(C)c1cccc(C(C)C)c1NC(=O)N(CCC[NH+]2CCCC[C@H]2C)Cc3ccc4OCOc4c3 InChIKey=WUNKUBXQNSBOOE-HSZRJFAPSA-O InChI=1S/C30H43N3O3/c1-21(2)25-11-8-12-26(22(3)4)29(25)31-30(34)33(17-9-16-32-15-7-6-10-23(32)5)19-24-13-14-27-28(18-24)36-20-35-27/h8,11-14,18,21-23H,6-7,9-10,15-17,19-20H2,1-5H3,(H,31,34)/p+1/t23-/m1/s1 InChI=1/C30H43N3O3/c1-21(2)25-11-8-12-26(22(3)4)29(25)31-30(34)33(17-9-16-32-15-7-6-10-23(32)5)19-24-13-14-27-28(18-24)36-20-35-27/h8,11-14,18,21-23H,6-7,9-10,15-17,19-20H2,1-5H3,(H,31,34)/p+1/t23-/m1/s1/fC30H44N3O3/h31-32H/q+1 C[C@@H]1CCCC[NH+]1CCCN(Cc2ccc3c(c2)OCO3)C(=O)Nc4c(cccc4C(C)C)C(C)C C01[X(C30H44N3O3)] 234 C01 628 O=C(N(Cc1ccc2c(c1)OCO2)CCC[NH+]1CCCC[C@H]1C)Nc1c(cccc1C(C)C)C(C)C O=C(N(Cc1ccc2c(c1)OCO2)CCC[NH]1CCCC[C@H]1C)Nc1c(cccc1C(C)C)C(C)C CC(C)c1cccc(C(C)C)c1NC(=O)N(CCC[NH]2CCCC[C@H]2C)Cc3ccc4OCOc4c3 InChIKey=LBERJPJQCIYFHL-HSZRJFAPSA-N InChI=1S/C30H44N3O3/c1-21(2)25-11-8-12-26(22(3)4)29(25)31-30(34)33(17-9-16-32-15-7-6-10-23(32)5)19-24-13-14-27-28(18-24)36-20-35-27/h8,11-14,18,21-23,32H,6-7,9-10,15-17,19-20H2,1-5H3,(H,31,34)/t23-/m1/s1 InChI=1/C30H44N3O3/c1-21(2)25-11-8-12-26(22(3)4)29(25)31-30(34)33(17-9-16-32-15-7-6-10-23(32)5)19-24-13-14-27-28(18-24)36-20-35-27/h8,11-14,18,21-23,32H,6-7,9-10,15-17,19-20H2,1-5H3,(H,31,34)/t23-/m1/s1/f/h31H 4024.4981648285 -1549.4177342 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0.07387 0.04723 9.69 18.02 19.56 26.33 32.94 47.04 49.28 68.65 71.86 80.40 99.62 105.53 122.26 148.44 159.63 169.34 208.65 217.83 224.11 261.10 261.82 301.46 337.69 351.66 356.13 363.43 371.04 376.90 390.57 397.57 410.45 413.11 432.14 446.60 470.94 495.88 506.50 508.64 546.36 552.29 567.62 583.47 641.80 653.81 663.42 674.55 679.50 682.94 687.17 690.32 751.22 792.53 824.71 825.44 848.17 853.25 908.02 921.59 933.99 951.89 1006.72 1014.01 1055.42 1115.09 1145.21 1152.39 1158.71 1171.41 1207.39 1220.93 1239.04 1257.32 1275.38 1294.26 1300.67 1306.19 1320.21 1329.85 1349.87 1365.37 1376.67 1411.05 1422.48 1440.56 1446.50 1453.91 1455.19 1459.73 1483.12 1490.52 1499.93 1501.56 1505.01 1524.37 1539.83 1550.90 1564.33 1587.79 1604.82 1609.91 1616.05 1637.15 1644.03 1655.61 1668.72 1679.44 1698.18 1719.68 1750.62 1753.62 1757.16 1760.79 1763.30 1766.03 1773.41 1810.24 1815.34 1835.51 1853.90 1855.49 1869.49 1884.71 1897.10 1900.10 1907.45 1919.50 1940.89 1943.13 1969.70 1993.55 2003.15 2015.35 2027.15 2037.51 2051.02 2067.98 2095.66 2101.09 2118.92 2120.61 2122.15 2123.33 2152.20 2154.45 2167.57 2171.57 2181.30 2195.57 2216.07 2223.26 2224.87 2233.70 2237.50 2239.45 2261.72 2262.63 2266.46 2273.88 2274.95 2276.73 2318.81 2323.39 2332.16 2341.64 2344.30 2350.02 2350.73 2352.62 2355.27 2358.10 2361.42 2361.77 2365.54 2372.21 2373.37 2374.77 2382.09 2382.60 2385.43 2387.00 2400.45 2409.12 2417.60 2428.42 2462.73 2579.51 2588.87 2609.17 2626.00 2800.90 4583.98 4589.55 4591.17 4602.11 4609.09 4615.29 4622.21 4633.65 4635.81 4648.06 4657.90 4662.04 4672.20 4675.83 4685.35 4691.25 4700.72 4704.13 4706.23 4712.34 4714.57 4717.39 4723.93 4724.70 4728.61 4731.37 4732.37 4733.28 4753.26 4753.89 4759.87 4770.67 4802.18 4815.64 4820.98 4822.10 4842.84 4857.71 4862.79 4868.50 4890.81 4900.59 5296.40 5595.52 0.760720 0.795054 0.795998 0.688156 -1548.657014 -1548.622680 -1548.621736 -1548.729578 3.617038D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE C[C@@H]1CCCC[NH+]1CCCN(Cc2ccc3c(c2)OCO3)C(=O)Nc4c(cccc4C(C)C)C(C)C C35106495 RHF 6-31G(d) (6D,10F) C1 494.338268 |X|Y|Z| 95.983807 109.728832 39.224224 74.477376 28 6 7 8 23 3 2 |36.858105| |12.492650|36.858105| |8.840920|17.617640|0.500000| |7.536073|12.436377|0.245796|36.858105| |4.881598|7.454868|0.189548|12.469404|36.858105| |4.360139|6.421292|0.160621|7.597134|12.479954|36.858105| |4.932579|7.589588|0.197211|6.554712|7.593479|12.522754|36.858105| |7.564512|12.486822|0.253590|7.674440|6.490496|7.630449|12.627420|53.358707| |7.035330|9.323177|0.182823|7.317565|6.033678|7.288789|9.368390|25.691968|0.500000| |6.384359|7.405277|0.187158|4.915457|4.335460|4.962247|7.617892|17.161510|0.261611|36.858105| |5.309683|6.066058|0.186565|4.173883|3.842116|4.169024|6.086845|10.145768|0.156936|12.496158|36.858105| |4.052936|4.174893|0.122773|3.159058|2.941249|3.186178|4.245562|6.657664|0.116626|7.574669|12.374510|36.858105| |3.381751|3.474339|0.106159|2.743164|2.602109|2.742420|3.478574|5.143882|0.091202|4.993492|7.651324|13.169661|53.358707| |3.343925|3.259592|0.099909|2.598029|2.407735|2.447547|2.979725|4.517566|0.081467|4.146595|5.751713|7.698003|17.712222|36.858105| |3.129274|2.913101|0.085501|2.362510|2.159180|2.199580|2.623629|4.057146|0.075772|3.730445|4.593618|6.264658|10.433726|12.558532|36.858105| |2.635815|2.496582|0.072152|2.079211|1.933284|1.999613|2.361999|3.564634|0.067801|3.246412|3.819218|5.278096|8.538147|7.557390|13.751094|36.858105| |2.396978|2.232352|0.063332|1.894545|1.754289|1.809751|2.096239|3.171750|0.061639|2.822839|3.131508|4.044393|5.934983|4.987089|7.830249|13.629098|36.858105| |2.502882|2.262122|0.063575|1.922917|1.751963|1.784363|2.044291|3.149484|0.061739|2.762345|2.985444|3.665612|5.149485|4.465039|6.927227|8.081013|13.929968|36.858105| |2.911728|2.556008|0.072081|2.138756|1.913287|1.920593|2.204991|3.471023|0.067529|3.040096|3.311059|3.949374|5.485041|5.061620|8.038022|6.987127|7.941605|13.809262|36.858105| |3.356203|2.961157|0.085442|2.407112|2.145119|2.144489|2.508873|3.984863|0.075570|3.562942|4.112730|4.992712|7.198300|7.547352|13.579819|7.894844|6.749453|7.927826|13.928027|36.858105| |2.801130|2.405851|0.066884|2.052495|1.819679|1.807450|2.034040|3.210980|0.063481|2.722730|2.854358|3.220692|4.349984|3.830373|5.184602|4.687156|5.402508|8.548663|14.063689|7.759644|73.516695| |2.351896|2.068568|0.057292|1.800486|1.620493|1.622654|1.809587|2.802429|0.055929|2.354280|2.441851|2.770513|3.766105|3.196292|4.212852|4.228397|5.362722|8.616391|8.614577|5.363069|23.980368|36.858105| |2.258789|2.030977|0.056441|1.760560|1.604232|1.629058|1.834921|2.813859|0.055989|2.407694|2.521640|2.969779|4.075301|3.400954|4.661589|5.197188|7.745738|14.063166|8.553573|5.400637|14.935282|13.523359|73.516695| |2.914067|3.117450|0.096674|2.555136|2.516433|2.671869|3.344319|4.616292|0.081952|4.170697|6.023753|7.666502|18.735116|7.832038|5.233186|4.777909|3.554283|3.076929|3.185849|3.928846|4.673446|2.343618|4.495337|36.858105| |2.635515|2.798859|0.087653|2.350347|2.326827|2.414655|2.915490|3.986580|0.071484|3.417762|4.656439|5.357177|11.458543|7.027858|4.739719|4.334927|3.295784|2.880878|2.988094|3.654633|4.433190|2.236472|4.252268|15.909039|73.516695| |2.769642|3.056518|0.092969|2.552030|2.585650|2.850631|3.623520|4.750445|0.084829|4.257714|5.755347|6.819037|11.124456|5.192543|4.033453|3.889568|3.080472|2.687047|2.730566|3.217954|4.113251|2.099858|4.035825|13.844602|15.003445|53.358707| |2.345958|2.601298|0.078746|2.261627|2.349557|2.585914|3.141580|3.966620|0.072268|3.332093|4.133753|4.505561|7.070044|3.908082|3.190226|3.160198|2.608870|2.292340|2.301697|2.635692|3.541176|1.839390|3.523190|7.784822|12.218952|18.046544|36.858105| |2.292740|2.598406|0.079861|2.307345|2.459654|2.684709|3.188737|3.883521|0.070360|3.100035|3.782470|3.776794|5.748227|3.398155|2.767182|2.671180|2.251186|2.028706|2.067915|2.364530|3.237512|1.677140|3.159636|5.871076|10.311284|10.605211|13.645572|36.858105| |1.977087|2.217695|0.067145|2.023936|2.175034|2.360841|2.693286|3.275988|0.060613|2.555471|2.973525|2.978669|4.447453|2.765377|2.339210|2.297734|1.985240|1.797690|1.815827|2.035360|2.879051|1.509961|2.841442|4.216886|7.694368|6.999199|7.974562|13.703967|36.858105| |1.792258|1.974054|0.058793|1.807624|1.920048|2.088929|2.363298|2.928363|0.055040|2.310126|2.632645|2.728952|4.062529|2.550235|2.220974|2.240397|1.959199|1.757462|1.746737|1.928321|2.771303|1.471163|2.793466|3.751704|6.786908|6.179228|6.900169|7.896689|13.809064|36.858105| |1.819254|1.977613|0.058423|1.787430|1.868474|2.043318|2.346085|2.966191|0.055981|2.403166|2.745572|2.970354|4.459829|2.748161|2.423716|2.505989|2.181065|1.920760|1.881648|2.068418|2.955980|1.577417|3.035342|4.135308|7.261575|7.001472|7.963790|6.831055|7.968147|13.787530|36.858105| |2.050574|2.225379|0.065971|1.966347|2.030876|2.232076|2.639022|3.381505|0.063169|2.830135|3.332689|3.757200|5.780095|3.370075|2.916417|3.027651|2.559688|2.216652|2.170274|2.419635|3.352044|1.774045|3.441340|5.663444|9.349544|10.608191|13.601713|7.800289|6.838641|7.901585|13.721646|36.858105| |2.011708|2.130913|0.062166|1.870691|1.894614|2.078880|2.457223|3.252010|0.061609|2.792666|3.224857|3.876267|5.908353|3.465933|3.154593|3.458444|2.939000|2.468113|2.348901|2.574321|3.588862|1.923162|3.813400|5.278498|8.370810|8.943034|7.448165|4.950232|4.416767|5.002845|7.533809|12.470952|36.858105| |1.990935|2.112040|0.060419|1.868048|1.897581|2.123379|2.505641|3.300068|0.063589|2.837329|3.113884|3.687966|5.125545|3.020720|2.846702|3.117402|2.750898|2.347682|2.224224|2.392976|3.445788|1.859571|3.689275|4.202484|6.468304|7.250119|5.582608|4.108926|3.753949|4.203088|5.770521|7.539082|12.389428|36.858105| |1.760913|1.838431|0.053471|1.636417|1.650825|1.783196|2.055338|2.743935|0.052535|2.308031|2.616242|3.082381|4.739765|3.004252|2.827215|3.176148|2.793094|2.338183|2.187074|2.344856|3.371646|1.839229|3.666751|4.057229|6.978542|6.091959|5.046515|3.873436|3.728770|4.416481|6.394476|7.447937|12.416529|7.546085|36.858105| |2.592795|3.033992|0.096612|2.685662|2.911768|3.122768|3.732395|4.434105|0.078257|3.414634|4.269856|3.895745|5.801919|3.515214|2.787699|2.585789|2.179768|2.007791|2.095940|2.433440|3.305337|1.687714|3.128534|5.608601|9.952257|8.862385|7.428436|12.495054|7.575087|5.017399|4.417045|4.941633|3.719983|3.259350|3.036620|36.858105| |2.392863|2.735299|0.087901|2.466212|2.642139|2.701919|3.081337|3.796009|0.067842|2.869599|3.532565|3.268548|5.037859|3.307394|2.626146|2.417563|2.053381|1.908907|2.004775|2.325014|3.185087|1.627065|2.989302|4.699088|9.397450|6.457632|5.274627|7.525667|6.156813|4.350087|3.758014|3.988486|3.142650|2.713262|2.725635|12.410451|36.858105| |2.566363|3.103538|0.097200|2.859205|3.273461|3.614419|4.180275|4.602024|0.081885|3.341611|3.871823|3.372344|4.658676|2.884408|2.388125|2.226534|1.925419|1.799845|1.880246|2.146321|3.017100|1.547223|2.847743|4.080792|6.959744|6.532464|5.271137|7.525945|6.149825|4.350912|3.754269|3.975525|3.132127|2.928199|2.599099|12.401395|7.509851|36.858105| |17.544764|8.767597|0.172882|6.724107|4.494674|4.184152|4.573194|9.414371|0.208858|5.901790|4.554701|3.683570|4.138014|2.978033|2.883357|2.492114|2.315024|2.433672|2.792798|3.109285|4.862424|2.328365|3.970268|2.631356|4.218444|3.464763|2.176742|2.112195|1.842438|1.689528|1.723550|1.933546|1.917997|1.928060|1.686112|2.340387|2.148100|2.340945|0.500000| |17.613953|8.702115|0.213917|5.467534|4.026920|3.775734|4.487828|9.072795|0.165546|6.909328|6.183325|4.820475|5.388689|4.014111|3.780800|3.075490|2.761143|2.906222|3.477046|4.146016|5.841693|2.680493|4.570493|3.263521|5.194351|4.103269|2.495231|2.395534|2.044422|1.859149|1.906577|2.176715|2.158276|2.116498|1.884449|2.683281|2.476227|2.577517|0.300252|0.500000| |17.595015|8.942306|0.209500|7.088499|4.604211|3.866196|4.112104|7.535496|0.145209|4.744349|4.299319|3.433241|4.101047|3.071759|2.880832|2.429533|2.228895|2.348983|2.747750|3.139071|4.792970|2.265227|3.809344|2.647178|4.364862|3.390726|2.151075|2.127953|1.856038|1.682679|1.695968|1.890930|1.847181|1.813380|1.638035|2.416928|2.289009|2.392577|0.302730|0.303652|0.500000| |7.003898|8.862422|0.173881|17.499559|8.822775|6.776654|5.696162|9.371085|0.214469|4.601496|3.725606|2.936590|3.437027|2.395702|2.233317|1.989571|1.838707|1.877858|2.077334|2.295961|3.584741|1.781015|3.088983|2.335634|3.807278|3.195878|2.088765|2.106064|1.866415|1.689542|1.682226|1.845109|1.777124|1.796621|1.562177|2.390650|2.190032|2.539668|0.204578|0.140867|0.179868|0.500000| |6.985449|8.969276|0.214609|17.581866|8.824120|5.519597|4.912599|7.603811|0.147133|4.074034|3.679018|2.873369|3.497277|2.500144|2.278586|1.994765|1.825341|1.867714|2.092999|2.352481|3.607016|1.774920|3.053609|2.399880|3.998081|3.204527|2.105187|2.159534|1.909533|1.707405|1.682219|1.839224|1.749904|1.730113|1.547990|2.518299|2.380066|2.645401|0.167344|0.143545|0.217022|0.304245|0.500000| |4.075432|5.469729|0.139642|8.855574|17.589673|8.836654|5.522783|6.646127|0.134203|3.531436|3.157486|2.524544|3.085340|2.121496|1.929104|1.745056|1.600877|1.604191|1.742380|1.927603|2.975125|1.503012|2.637205|2.205266|3.666654|3.085086|2.095773|2.199581|1.983848|1.767524|1.714196|1.840045|1.722219|1.731440|1.517512|2.560976|2.364480|2.889914|0.108315|0.094546|0.110837|0.215903|0.210911|0.500000| |4.481600|6.682404|0.199112|8.843520|17.531401|8.854928|6.801610|7.685020|0.137137|4.074922|3.885172|2.959727|3.659125|2.495009|2.193115|1.953063|1.756326|1.745109|1.908390|2.160569|3.206200|1.603472|2.825370|2.647595|4.410414|3.677590|2.475720|2.647894|2.332174|2.026220|1.948517|2.111704|1.941013|1.915424|1.691794|3.239825|2.984152|3.683706|0.109951|0.106918|0.120649|0.173429|0.215547|0.303690|0.500000| |4.159458|5.612207|0.132675|6.767988|8.812282|17.514004|8.866217|9.331729|0.213609|4.646183|3.724305|2.961622|3.437882|2.269433|2.086249|1.915643|1.756474|1.740700|1.864391|2.051858|3.146209|1.598546|2.850543|2.431455|3.900924|3.530599|2.357841|2.405625|2.143208|1.932023|1.908463|2.077999|1.967783|2.040012|1.698955|2.709056|2.363246|3.071413|0.117525|0.099404|0.102027|0.197207|0.138830|0.215060|0.173419|0.500000| |3.531503|4.836982|0.129642|5.509897|8.787103|17.578839|8.980153|7.585850|0.146895|4.132405|3.684758|2.916337|3.504378|2.286213|2.046307|1.881690|1.703191|1.666108|1.775726|1.974093|2.964678|1.510334|2.709473|2.577809|4.182623|3.810966|2.614526|2.775348|2.477485|2.178317|2.099870|2.260597|2.073564|2.120824|1.780832|3.236606|2.782932|3.944645|0.094021|0.087877|0.089341|0.138702|0.123333|0.208825|0.215262|0.303854|0.500000| |4.131003|5.567749|0.145341|4.901784|5.503757|8.780486|17.625446|12.366500|0.222761|7.331061|5.744459|4.315267|4.731833|2.899010|2.586005|2.379906|2.118140|2.041908|2.165854|2.436952|3.533236|1.787806|3.261743|3.375397|5.142439|5.197555|3.322437|3.303897|2.798116|2.486372|2.495687|2.820692|2.640766|2.765913|2.177958|3.702640|2.972244|4.165661|0.110748|0.108525|0.096379|0.127440|0.107953|0.123275|0.139352|0.214155|0.212926|0.500000| |4.619868|6.996153|0.216320|5.820323|6.859948|8.821016|17.649792|12.369084|0.182270|6.864813|6.719971|4.498318|5.207065|3.237859|2.749637|2.451039|2.139589|2.069401|2.237712|2.587474|3.632027|1.811393|3.271992|3.793363|5.901078|5.590791|3.552105|3.709949|3.049696|2.601530|2.548326|2.881015|2.613498|2.598685|2.171224|4.613287|3.713612|5.230259|0.113427|0.121142|0.110399|0.133170|0.130345|0.139931|0.200864|0.173444|0.214750|0.301588|0.500000| |7.242874|6.800779|0.163393|4.609839|3.844482|4.175407|5.607967|12.374338|0.233059|17.649288|8.803063|6.872256|6.316910|4.111806|3.927899|3.383701|3.006392|3.021961|3.388892|3.929584|5.452538|2.611373|4.697687|3.734666|5.557822|4.998462|2.922716|2.700557|2.270736|2.085703|2.184458|2.553149|2.580843|2.624950|2.178368|2.920130|2.537615|2.826315|0.198222|0.236097|0.143581|0.125238|0.109450|0.089743|0.099254|0.113272|0.097213|0.149725|0.140727|0.500000| |4.823839|5.522606|0.140799|4.181445|3.922977|4.793066|7.263987|12.474318|0.230036|17.604186|8.820284|6.927402|6.296983|3.719135|3.423224|3.119923|2.744795|2.639516|2.813620|3.201849|4.482660|2.232805|4.126207|4.014387|5.787186|5.934945|3.447658|3.150937|2.615884|2.395168|2.518791|2.976406|2.968655|3.127957|2.416860|3.350133|2.752916|3.335437|0.131913|0.140057|0.105712|0.112600|0.096752|0.091213|0.101545|0.129295|0.114686|0.234071|0.173653|0.303555|0.500000| |4.456153|5.489763|0.176719|4.050092|4.000392|4.467576|6.757659|9.242424|0.142740|8.820156|17.614083|8.882124|9.457538|5.051460|3.938412|3.404329|2.804961|2.635729|2.858406|3.468933|4.426012|2.173770|4.007357|6.547724|8.956880|9.352661|4.906450|4.625362|3.487145|2.989703|3.065039|3.736179|3.439564|3.287787|2.736702|5.497090|4.225983|4.956139|0.107567|0.134295|0.104668|0.098649|0.098906|0.090711|0.115987|0.106852|0.113529|0.179134|0.235639|0.172981|0.210430|0.500000| |6.123437|6.683695|0.226289|4.409027|3.894424|3.935035|5.333725|9.147006|0.142952|8.822091|17.579221|8.868148|9.609346|6.247634|4.804961|3.778250|3.101441|3.030573|3.485498|4.486238|5.372741|2.527202|4.542215|5.531209|8.193672|6.601542|3.668677|3.467239|2.772159|2.444384|2.515055|2.990519|2.879577|2.723436|2.409304|4.032382|3.543454|3.616589|0.135265|0.210896|0.140430|0.106346|0.111963|0.088838|0.111875|0.096886|0.096075|0.131386|0.166944|0.211022|0.173069|0.302656|0.500000| |4.225144|4.036516|0.114661|3.059714|2.762869|2.938134|3.771388|6.221373|0.113480|6.976892|8.810022|17.616027|12.686726|7.578101|7.497496|6.049718|4.710894|4.391091|4.858923|6.242417|6.851685|3.232429|6.171710|5.717346|7.873134|6.827677|3.641915|3.122394|2.558186|2.385769|2.595852|3.191841|3.391663|3.283546|2.812571|3.207282|2.800799|2.844980|0.108794|0.145724|0.099006|0.080570|0.078108|0.066649|0.076094|0.077528|0.073912|0.105356|0.106964|0.207838|0.173373|0.174048|0.211405|0.500000| |3.549113|3.727254|0.106449|2.934351|2.800687|3.138634|4.180627|6.248974|0.113297|6.963890|8.814706|17.581891|12.354469|5.701996|5.083151|4.798010|3.833025|3.397263|3.491624|4.128054|5.161515|2.579855|5.003084|6.853996|8.546729|9.964519|4.822826|3.879210|3.080915|2.877345|3.204663|4.135243|4.410965|4.421603|3.366515|3.807780|3.103443|3.369724|0.092880|0.112065|0.083924|0.077111|0.073343|0.067444|0.077388|0.082280|0.080947|0.125263|0.119805|0.171215|0.209573|0.212313|0.173866|0.306887|0.500000| |2.885619|2.858845|0.088174|2.350144|2.217676|2.242778|2.674858|3.924300|0.071318|3.445956|4.597962|5.677378|12.630014|17.694607|8.874236|6.679403|4.576023|4.022610|4.379373|5.961496|6.079507|2.945094|5.583161|7.810675|15.187684|6.822832|3.992761|3.501803|2.877725|2.660988|2.860894|3.478261|3.528913|2.962023|3.144774|3.568461|3.493128|2.853827|0.071833|0.093131|0.075272|0.060123|0.063449|0.054820|0.064515|0.057637|0.059064|0.072433|0.081470|0.093539|0.087797|0.120297|0.137248|0.149537|0.128675|0.500000| |3.863746|3.707876|0.116681|2.890983|2.626684|2.606129|3.162459|4.903772|0.087113|4.386262|6.161763|6.916602|12.319176|17.510934|8.902912|5.596061|4.166552|4.014712|4.834339|7.388647|6.823505|3.109401|5.634891|6.318671|10.523341|6.168946|3.517829|3.208457|2.625253|2.381368|2.502895|2.991215|2.985393|2.663482|2.606477|3.484989|3.344336|2.911736|0.092426|0.132249|0.099610|0.072975|0.078206|0.063793|0.076171|0.066541|0.066848|0.083029|0.096229|0.121688|0.104414|0.146313|0.212444|0.192237|0.139781|0.304837|0.500000| |2.458243|2.392940|0.069592|2.009587|1.901302|1.987349|2.355788|3.468044|0.065700|3.146220|3.755129|5.264112|9.098275|7.039371|8.950375|17.722697|8.922021|5.717698|5.011485|5.630097|6.591662|3.450778|7.408924|5.470548|8.765434|6.054928|3.617577|2.956947|2.534678|2.502084|2.864168|3.543177|4.209433|3.646206|3.860878|2.774624|2.569537|2.351241|0.064525|0.078230|0.062867|0.053238|0.053298|0.047688|0.053609|0.052686|0.052485|0.066679|0.068459|0.088347|0.085769|0.096232|0.100467|0.153528|0.139576|0.188193|0.141059|0.500000| |2.141129|2.018970|0.057052|1.739010|1.627203|1.688890|1.940696|2.891581|0.056620|2.540115|2.773640|3.517600|5.119800|4.067561|5.588438|8.805097|17.746972|8.929587|5.642971|4.889816|7.765827|4.654018|12.153302|3.221682|5.352562|3.920890|2.500944|2.150650|1.923324|1.927211|2.165979|2.519396|2.959021|2.797171|2.892182|2.049250|1.928628|1.820687|0.057938|0.067262|0.055459|0.047097|0.046472|0.041498|0.045192|0.045734|0.044473|0.054959|0.054844|0.074301|0.069912|0.070422|0.075243|0.109729|0.096216|0.107447|0.095754|0.213381|0.500000| |3.827006|3.274833|0.095344|2.630666|2.301199|2.255380|2.624174|4.235551|0.079683|3.696411|4.264794|4.756294|6.690084|6.935668|8.780149|5.608189|4.888250|5.643317|8.953274|17.722843|12.232772|4.668544|7.779174|3.739568|6.266020|4.188732|2.537146|2.328253|2.002027|1.873238|1.978664|2.292366|2.378855|2.217645|2.158047|2.457048|2.372354|2.183230|0.095995|0.135106|0.101174|0.069105|0.072346|0.057229|0.064606|0.059609|0.057203|0.069400|0.075443|0.114014|0.089446|0.099041|0.137019|0.159764|0.107078|0.154024|0.225346|0.123506|0.106463|0.500000| |2.155349|1.913511|0.053396|1.682682|1.523648|1.516702|1.678384|2.569510|0.051116|2.127207|2.226735|2.494728|3.463834|2.965207|3.786314|3.798243|4.676370|6.736913|6.738611|4.677765|16.547790|17.601549|16.555373|2.198980|3.796099|2.674119|1.742363|1.599895|1.449963|1.414608|1.510660|1.685489|1.816373|1.741436|1.757760|1.610314|1.570140|1.473918|0.058864|0.067520|0.058408|0.046063|0.046410|0.039423|0.042108|0.041379|0.039418|0.045920|0.046936|0.064587|0.056024|0.055793|0.064438|0.078923|0.064532|0.077935|0.080520|0.088190|0.116250|0.116670|0.500000| |2.304300|2.013981|0.055105|1.769278|1.587527|1.591227|1.760913|2.734323|0.055233|2.275835|2.304020|2.571957|3.415375|2.814145|3.564381|3.574775|4.395075|6.290286|6.289831|4.396828|16.574517|17.683922|16.590575|2.144279|3.617172|2.660435|1.721293|1.576718|1.425922|1.390891|1.487431|1.663516|1.799473|1.764318|1.717905|1.588676|1.525510|1.472699|0.064440|0.072094|0.061673|0.049109|0.048400|0.041099|0.043323|0.043893|0.041068|0.048423|0.048505|0.070666|0.060316|0.057052|0.065779|0.083071|0.067362|0.071814|0.076800|0.083559|0.110526|0.110866|0.296950|0.500000| |2.796803|3.057814|0.090451|2.546317|2.561059|2.879632|3.700517|4.917987|0.089173|4.583480|5.871643|7.544093|10.471697|4.863715|4.040905|4.014484|3.219737|2.786876|2.793302|3.238031|4.203070|2.158332|4.191206|9.435422|11.008392|26.107936|9.288540|5.984999|4.386249|4.084498|4.780514|7.137600|7.014486|6.350139|4.554057|5.115263|3.857016|4.200399|0.072614|0.084656|0.068947|0.066035|0.064556|0.062479|0.072856|0.074028|0.077981|0.112079|0.112180|0.109910|0.137182|0.184186|0.130488|0.153036|0.268409|0.124895|0.117163|0.127709|0.084272|0.084786|0.055532|0.056145|0.500000| |1.906335|2.150581|0.065290|1.995980|2.172696|2.333818|2.600180|3.130672|0.058065|2.382132|2.731622|2.665317|3.926685|2.508027|2.133675|2.075859|1.812434|1.661841|1.689658|1.888164|2.705228|1.418236|2.646183|3.591121|6.645516|5.665665|5.657224|8.915318|17.726986|8.976561|5.670679|4.935089|3.535975|3.114777|3.101362|7.068659|6.470965|6.454162|0.049295|0.054224|0.050149|0.050963|0.052635|0.055476|0.065361|0.058580|0.068879|0.074045|0.082029|0.058979|0.067145|0.088601|0.071909|0.064435|0.075509|0.072434|0.067416|0.062656|0.048691|0.052099|0.037969|0.037313|0.100648|0.500000| |1.637115|1.795144|0.053161|1.665765|1.774341|1.919341|2.129059|2.640936|0.050081|2.055858|2.300075|2.365300|3.480777|2.238673|1.981026|2.003119|1.778451|1.607172|1.594580|1.743412|2.552663|1.362997|2.579489|3.105831|5.664846|4.919148|4.966261|5.629832|8.935783|17.719535|8.931564|5.632954|4.087119|3.592062|3.853863|4.099863|3.758131|3.760490|0.043074|0.046901|0.042970|0.043447|0.043918|0.045831|0.051924|0.049615|0.055878|0.061995|0.064453|0.052021|0.059123|0.071577|0.059913|0.058418|0.068924|0.064897|0.058569|0.061564|0.048858|0.047165|0.036553|0.035916|0.092530|0.216681|0.500000| |1.673031|1.798945|0.052653|1.637295|1.703061|1.856879|2.105729|2.688853|0.051319|2.173298|2.434701|2.654388|3.940918|2.484761|2.249771|2.365531|2.096826|1.843568|1.786091|1.935118|2.820414|1.520933|2.939659|3.501747|6.162549|5.667076|5.650486|4.932664|5.674551|8.977990|17.747206|8.914501|7.003214|5.720764|7.089620|3.537035|3.122118|3.118591|0.044363|0.048651|0.043460|0.043143|0.042928|0.043733|0.048991|0.048686|0.052901|0.062289|0.062587|0.055608|0.063477|0.073924|0.062300|0.065821|0.079782|0.071800|0.062808|0.075091|0.058655|0.051153|0.040559|0.039936|0.111903|0.124959|0.216843|0.500000| |2.183804|2.288544|0.066999|1.974081|1.970455|2.147163|2.573168|3.485037|0.065560|3.074825|3.653951|4.677234|7.501334|4.240579|3.838940|4.297122|3.496336|2.857917|2.708846|3.011239|4.049495|2.152696|4.311689|6.660811|9.999541|10.528436|7.215122|4.739848|3.998498|4.219000|5.658914|8.957549|17.572632|8.919769|9.037122|3.759743|3.198036|3.098060|0.057532|0.066079|0.055433|0.051966|0.051330|0.049418|0.056039|0.056346|0.058697|0.076119|0.076178|0.079471|0.089727|0.105946|0.090381|0.112734|0.147637|0.119271|0.097566|0.152714|0.096577|0.076046|0.056139|0.055419|0.234441|0.090918|0.097032|0.142708|0.500000| |1.827813|1.948987|0.055641|1.752674|1.799794|2.016446|2.334402|3.026637|0.058719|2.531524|2.730252|3.101233|4.290634|2.604858|2.455467|2.654096|2.387537|2.074308|1.974266|2.108241|3.103406|1.683481|3.309739|3.531106|5.632361|5.983961|4.929414|3.889353|3.767942|4.428273|6.118447|6.793654|8.761979|17.557804|6.798284|3.065673|2.577296|2.827999|0.049335|0.053375|0.046562|0.046938|0.045190|0.045995|0.050498|0.053976|0.056615|0.071638|0.067082|0.065061|0.077347|0.080786|0.067183|0.077521|0.100413|0.071611|0.065044|0.084430|0.067681|0.054844|0.044070|0.044616|0.137516|0.087525|0.107987|0.182208|0.173774|0.500000| |1.934430|2.016932|0.057174|1.783858|1.790089|1.989657|2.330116|3.135538|0.061097|2.713536|2.924883|3.532884|4.853061|2.938899|2.877774|3.251794|2.940607|2.478683|2.299814|2.428405|3.560405|1.945314|3.915655|3.776324|5.856965|6.064673|4.394341|3.385016|3.111705|3.428860|4.462448|5.483946|8.756136|17.544666|6.935303|2.809153|2.401268|2.545056|0.052464|0.057385|0.048971|0.048040|0.046025|0.045557|0.049840|0.053643|0.054712|0.071068|0.066235|0.071298|0.082991|0.083269|0.071659|0.090497|0.117414|0.079501|0.071578|0.105900|0.084947|0.061722|0.050407|0.051365|0.147121|0.073762|0.083998|0.127023|0.214084|0.301305|0.500000| |2.184779|2.346295|0.066796|2.059754|2.099827|2.393794|2.882939|3.762256|0.072313|3.282409|3.563540|4.194216|5.527510|3.148566|2.932744|3.130685|2.741755|2.373086|2.282007|2.478999|3.539085|1.889143|3.718066|4.456303|6.575599|8.170301|5.884365|4.335983|3.808376|4.043908|5.176296|6.876618|8.696419|17.512927|5.467462|3.516824|2.829996|3.218774|0.058854|0.064349|0.054645|0.055027|0.052391|0.052820|0.058557|0.063866|0.066288|0.090467|0.082574|0.082774|0.103508|0.105650|0.084041|0.101307|0.146915|0.083665|0.077932|0.099455|0.076007|0.064309|0.048796|0.050005|0.217901|0.088267|0.095248|0.133963|0.211268|0.302750|0.301144|0.500000| |1.736650|1.809456|0.053085|1.611325|1.623367|1.732988|1.988294|2.660265|0.050663|2.220860|2.554462|2.981944|4.747861|3.093187|2.868183|3.193125|2.779166|2.331904|2.194987|2.369642|3.378279|1.837728|3.643605|4.159277|7.578210|5.922033|4.974680|3.937207|3.820200|4.478007|6.171274|6.889319|8.758534|5.481007|17.573957|3.100493|2.872673|2.594955|0.045878|0.051731|0.045194|0.042508|0.042638|0.041470|0.046548|0.045609|0.048065|0.057744|0.058877|0.058335|0.063526|0.074324|0.066505|0.075683|0.087669|0.092828|0.074423|0.108019|0.079284|0.060768|0.049203|0.047359|0.116797|0.088730|0.108990|0.182518|0.212549|0.139941|0.140652|0.122178|0.500000| |1.732297|1.784775|0.051509|1.586150|1.584525|1.706874|1.962615|2.660417|0.051319|2.253889|2.522515|3.023751|4.591475|2.970069|2.902727|3.379283|3.038474|2.498652|2.285895|2.408926|3.514235|1.940655|3.929793|3.728392|6.332060|5.398313|4.150722|3.267249|3.103938|3.537276|4.717912|5.471492|8.828836|6.848327|17.551170|2.679154|2.426603|2.328202|0.046358|0.051723|0.044741|0.042323|0.041726|0.040544|0.044811|0.045515|0.047010|0.057730|0.056970|0.059968|0.065609|0.071733|0.064702|0.078549|0.091943|0.085520|0.071078|0.115359|0.089781|0.060761|0.051414|0.050308|0.115417|0.073661|0.087915|0.142593|0.221710|0.165852|0.206493|0.140542|0.301291|0.500000| |1.634498|1.714093|0.049646|1.544811|1.570914|1.701624|1.937263|2.558234|0.049294|2.116685|2.354607|2.694964|4.029014|2.583745|2.440943|2.697115|2.426420|2.074266|1.949935|2.073329|3.051425|1.672272|3.305834|3.408192|5.903426|5.201301|4.450022|3.611370|3.660313|4.561878|6.657295|6.539267|8.703165|6.893362|17.570820|2.830403|2.551187|2.487518|0.043676|0.048126|0.042375|0.041096|0.040602|0.040366|0.044668|0.045193|0.047579|0.057235|0.056590|0.055427|0.061896|0.068826|0.060350|0.068670|0.081778|0.074620|0.063637|0.088151|0.069926|0.053551|0.044531|0.043731|0.108117|0.085479|0.114865|0.240397|0.174466|0.203130|0.173848|0.139662|0.301276|0.303097|0.500000| 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