Version2.0 2020-01-25T17:59:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN1[C@@H](c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4cc(c(c(c4)OC)OC)OC C35486284 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN1[C@@H](c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4cc(c(c(c4)OC)OC)OC C01[X(C28H35N2O6)] 207 C1 610 COc1cc(cc(c1OC)OC)[C@H]1N(CC[NH+](CC)CC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C COc1cc(cc(c1OC)OC)[C@H]1N(CC[NH+](CC)CC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C CC[NH+](CC)CCN1[C@H](c2cc(OC)c(OC)c(OC)c2)C3=C(Oc4cc(C)c(C)cc4C3=O)C1=O InChIKey=MQULBUUIBQPURD-XMMPIXPASA-O InChI=1S/C28H34N2O6/c1-8-29(9-2)10-11-30-24(18-14-21(33-5)26(35-7)22(15-18)34-6)23-25(31)19-12-16(3)17(4)13-20(19)36-27(23)28(30)32/h12-15,24H,8-11H2,1-7H3/p+1/t24-/m1/s1 InChI=1/C28H34N2O6/c1-8-29(9-2)10-11-30-24(18-14-21(33-5)26(35-7)22(15-18)34-6)23-25(31)19-12-16(3)17(4)13-20(19)36-27(23)28(30)32/h12-15,24H,8-11H2,1-7H3/p+1/t24-/m1/s1/fC28H35N2O6/h29H/q+1 CC[NH+](CC)CCN1[C@@H](c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4cc(c(c(c4)OC)OC)OC C01[X(C28H35N2O6)] 207 C01 610 COc1cc(cc(c1OC)OC)[C@H]1N(CC[NH+](CC)CC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C CC[NH](CCN1C(=O)c2c([C@H]1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cc(c(c1)C)C)CC CC[NH](CC)CCN1[C@H](c2cc(OC)c(OC)c(OC)c2)C3=C(Oc4cc(C)c(C)cc4C3=O)C1=O InChIKey=HYNXIQGORKSOHP-XMMPIXPASA-N InChI=1S/C28H35N2O6/c1-8-29(9-2)10-11-30-24(18-14-21(33-5)26(35-7)22(15-18)34-6)23-25(31)19-12-16(3)17(4)13-20(19)36-27(23)28(30)32/h12-15,24,29H,8-11H2,1-7H3/t24-/m1/s1 InChI=1/C28H35N2O6/c1-8-29(9-2)10-11-30-24(18-14-21(33-5)26(35-7)22(15-18)34-6)23-25(31)19-12-16(3)17(4)13-20(19)36-27(23)28(30)32/h12-15,24,29H,8-11H2,1-7H3/t24-/m1/s1 4039.5193680093 -1638.5470572 1-A 20895.8778 132 478 610 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1.7735 6.8167 13.9651 13.0610 10.5691 12.4962 23.8133 29.4750 28.3776 6.3002 6.2981 6.2997 6.3167 6.3571 6.3584 6.3292 6.5606 6.7207 6.9077 6.9392 7.0025 7.0044 6.7826 6.8506 6.9920 6.9713 7.0470 7.0375 7.1096 7.0732 6.9805 7.1125 7.0092 7.2488 7.2660 7.2656 7.3163 7.3322 7.4833 7.4207 7.4344 7.4292 7.4473 8.6309 2.7744 0.7501 0.7175 0.6202 2.9648 0.3324 4.2610 4.5794 1.8219 0.5331 0.9247 3.1580 6.0825 2.2822 1.6270 5.7261 0.2418 3.3935 0.3466 1.1141 2.2567 0.9682 4.2294 2.1841 0.5111 0.2170 1.9429 0.1999 2.9327 4.7035 5.9270 5.2377 5.7957 13.0892 1.0288 0.1815 1.1213 2.2983 0.2254 0.3828 4.4437 10.3448 3.4017 2.9558 0.9333 4.8007 1.1628 1.6542 1.2265 4.6514 8.7154 5.0492 4.4016 7.2401 4.8876 1.0110 3.3034 3.4229 4.1295 0.1883 0.5264 8.9529 1.0088 10.7551 53.9511 14.6632 1.3046 7.9639 11.4919 6.0679 2.1828 30.1158 2.9879 9.0450 13.0795 17.2165 5.8201 11.7407 32.4294 5.1149 35.2288 25.4858 0.6159 19.2762 14.4047 10.5667 2.1538 27.6036 20.1445 5.6469 3.5531 9.7567 84.1933 5.4244 6.2960 4.1286 42.7613 0.0008 8.3776 14.6505 134.3148 116.8133 43.0817 29.6908 4.9269 6.8920 8.7889 5.6144 292.8293 19.8117 12.8632 4.5564 15.1231 8.8125 16.3964 41.0840 98.8734 143.8561 155.8602 19.3440 23.7982 188.1958 6.3923 52.1613 10.6749 107.2344 59.1042 2.8755 127.9774 4.8975 51.9188 145.4592 171.1512 84.2994 2.8545 12.1874 69.5495 55.9402 6.9305 41.6041 254.0343 29.0125 0.0985 65.3538 5.4442 1.6947 2.5473 11.7338 16.3645 59.9292 1.7551 7.3451 38.6784 157.5342 12.9111 6.7189 4.4497 14.7572 9.6466 21.2730 14.6283 9.3065 0.6844 14.8977 172.7165 6.4963 159.3469 61.8747 167.9609 193.3518 596.5358 378.6661 16.6883 68.6029 21.0626 39.5919 8.5040 8.0401 51.8571 25.4977 14.3084 14.0256 23.1807 41.0449 48.1620 3.8336 3.0553 3.8465 12.4000 26.8046 10.2002 36.4696 12.7135 5.8300 7.3165 1.4923 40.0315 28.4611 29.5206 5.9303 13.6202 0.8352 2.4681 1.4073 4.0390 3.6096 30.0818 0.3362 2.0746 2.0243 2.1514 0.5590 4.5987 0.0536 0.3562 0.3966 0.1709 0.0623 0.2860 0.6191 0.2384 0.2284 0.2465 0.1442 0.7287 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4890.74 4897.58 5304.54 0.643328 0.678069 0.679014 0.573455 -1637.903729 -1637.868988 -1637.868044 -1637.973602 3.540433D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE CC[NH+](CC)CCN1[C@@H](c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4cc(c(c(c4)OC)OC)OC C35486284 RHF 6-31G(d) (6D,10F) C1 495.249512 |X|Y|Z| 74.108749 116.529835 42.713762 71.717446 19 6 7 8 17 1 1 |36.858105| |12.528477|36.858105| |7.554622|12.604875|53.358707| |7.477393|9.288749|25.702162|0.500000| |5.945786|7.600399|17.174603|0.259210|36.858105| |4.406263|4.983385|10.304911|0.208263|12.522017|36.858105| |5.002761|7.646086|17.206533|0.257956|7.632301|6.002297|36.858105| |4.400845|5.868732|10.301185|0.210612|5.028565|4.530381|12.437442|36.858105| |3.364552|4.280334|6.869992|0.135571|3.898077|3.648591|7.818108|13.272730|53.358707| |3.011342|3.728368|5.392917|0.105441|3.163837|2.905171|5.396508|7.409064|17.636076|36.858105| |2.957490|3.521992|4.966069|0.100481|2.902919|2.690973|4.613229|6.584443|12.374713|17.566168|0.500000| |2.470465|2.963055|4.361838|0.085724|2.727768|2.595607|4.211586|5.157031|11.322806|12.653475|0.248586|36.858105| |2.123275|2.476956|3.536240|0.069716|2.273450|2.168898|3.217318|3.729777|6.940427|7.114787|0.176345|12.982843|36.858105| |2.076789|2.397078|3.321500|0.065483|2.128570|2.004988|2.938664|3.379555|5.902371|6.206048|0.167847|8.104905|15.905800|73.516695| |1.880980|2.163181|3.135076|0.062106|2.076967|2.026198|2.802364|3.138852|5.592226|4.886961|0.123363|7.826039|12.891590|14.245815|36.858105| |1.668660|1.887582|2.694098|0.053491|1.809339|1.766296|2.336263|2.564233|4.319103|3.703278|0.097349|5.079747|7.609021|11.706879|13.603742|36.858105| |1.519466|1.702130|2.443794|0.048684|1.669452|1.650234|2.089306|2.254431|3.696085|3.012219|0.079483|3.919883|5.044558|7.940670|7.845742|13.869600|36.858105| |1.522900|1.707216|2.492355|0.049768|1.720337|1.725833|2.137667|2.289608|3.750202|2.925610|0.076246|3.805098|4.454100|6.693876|6.805355|7.940095|13.461363|36.858105| |1.675846|1.898926|2.822659|0.056353|1.941408|1.961956|2.470980|2.663863|4.482505|3.404523|0.086748|4.617561|5.047023|7.071900|7.883938|6.901296|7.880672|13.818728|36.858105| |1.881538|2.165740|3.224778|0.064109|2.167843|2.160841|2.905797|3.216287|5.739186|4.514455|0.111720|6.951267|7.632119|9.389401|13.744432|7.981456|6.851889|7.945597|13.734370|36.858105| |2.101617|2.454196|3.770685|0.075044|2.517642|2.538890|3.516658|3.941815|7.391387|5.266872|0.124945|8.038596|6.598426|8.292254|7.895002|5.200705|4.593930|5.269271|8.135775|13.925880|73.516695| |2.420522|2.895261|4.467769|0.088406|2.863182|2.818246|4.386960|5.231237|11.509827|8.174380|0.175542|14.366646|7.839484|9.599221|7.058947|4.650425|3.874469|4.070531|5.392617|8.341428|25.722892|36.858105| |2.855247|3.500363|5.775388|0.115042|3.589594|3.577377|6.159425|7.814268|19.070156|8.019422|0.173028|8.228011|5.126202|7.262728|4.550821|3.410638|2.980931|3.149567|3.967870|5.166865|13.769090|12.769891|36.858105| |2.815740|3.393450|5.881630|0.119204|3.844149|4.087493|6.002321|6.742738|11.377577|5.404967|0.127482|5.488274|3.956352|5.819998|3.752030|2.952422|2.685874|2.914038|3.664326|4.414796|11.443334|7.828516|15.945667|73.516695| |1.375472|1.524550|2.223538|0.044544|1.557449|1.576229|1.871303|1.975109|3.136063|2.390682|0.062954|2.945412|3.292433|5.171336|4.421693|5.028869|7.499177|12.623254|7.630267|5.043430|7.003127|3.166589|2.611340|4.439484|36.858105| |1.370350|1.517179|2.153061|0.042959|1.481071|1.461480|1.805041|1.928723|3.070905|2.491548|0.066878|3.058259|3.806279|6.469595|5.000983|7.606990|12.607188|7.483063|5.005028|4.439250|5.985882|2.977393|2.417317|3.936790|6.439340|36.858105| |3.220105|4.118575|5.514601|0.102850|3.236860|2.827532|5.340174|6.144724|10.477828|12.527178|0.248278|7.389676|5.662073|9.963294|4.068478|3.297414|2.713344|2.591480|2.911875|3.675549|7.191219|5.451484|5.449960|7.451724|2.159724|2.312423|36.858105| |3.414473|4.225725|5.209304|0.098795|3.030844|2.612308|4.550551|5.206652|7.542574|7.621085|0.207437|5.117542|4.414009|8.418163|3.316165|2.834421|2.370938|2.241334|2.452429|2.979948|5.662855|4.020613|4.098651|5.981382|1.906301|2.081204|13.780518|36.858105| |3.405973|4.153215|4.823767|0.089688|2.908335|2.456107|3.962610|4.099503|5.631699|5.027574|0.134119|3.880207|3.539534|6.804763|2.812658|2.490468|2.126645|2.008790|2.162453|2.551495|4.770718|3.229149|3.293662|5.033450|1.737772|1.906069|7.919774|13.643646|36.858105| |3.217356|4.005843|4.727270|0.085366|2.970822|2.480810|3.914253|3.747837|5.212585|4.432418|0.111283|3.659433|3.365765|6.309150|2.758306|2.456341|2.119943|2.014278|2.166860|2.532627|4.727051|3.139550|3.186066|4.948003|1.750482|1.902769|6.850777|7.896752|13.713901|36.858105| |3.036977|3.888303|4.926544|0.087585|3.148828|2.653795|4.364652|4.047299|5.943789|5.012803|0.116746|4.293131|3.854854|6.933574|3.164731|2.753791|2.364512|2.265649|2.473506|2.932052|5.531495|3.707884|3.714764|5.690394|1.946861|2.083171|7.931779|6.857433|7.911258|13.633594|36.858105| |3.041823|3.944778|5.333110|0.095901|3.303033|2.851413|5.179985|5.088456|8.315765|7.535235|0.155745|6.176283|5.064937|8.651638|3.934541|3.238807|2.712610|2.613881|2.933869|3.637059|7.067941|5.067828|4.996302|7.169808|2.191473|2.316759|13.715565|7.918098|6.844042|7.885030|13.716471|36.858105| |2.728934|3.403591|4.385522|0.077870|2.970436|2.524638|3.753301|3.346585|4.845113|3.858131|0.091771|3.555882|3.296206|5.846997|2.864350|2.554407|2.248493|2.172731|2.349965|2.707163|5.050698|3.232987|3.222417|5.130031|1.896099|2.004994|5.211132|4.629336|5.300602|8.228343|14.221654|7.899954|73.516695| |2.431731|2.989595|4.061759|0.072825|2.838952|2.492523|3.544783|3.153013|4.712388|3.656662|0.085745|3.611474|3.379802|5.787561|3.063652|2.729276|2.434242|2.383782|2.592982|2.958333|5.498325|3.410794|3.319738|5.354664|2.079618|2.151215|4.515176|3.795762|3.987412|5.264868|8.010383|6.720490|24.131475|36.858105| |3.019706|3.595138|4.164216|0.075608|2.724072|2.275651|3.266377|3.056786|4.146730|3.375601|0.087057|2.915620|2.750085|5.152271|2.341927|2.139049|1.883869|1.794376|1.905948|2.173635|4.017168|2.585246|2.629592|4.209932|1.585858|1.721771|4.614068|5.224825|8.018770|14.115869|8.004631|5.225830|12.768986|4.706122|73.516695| |2.480771|2.843092|3.406979|0.063219|2.273064|1.956089|2.673756|2.565868|3.564737|2.946887|0.077198|2.654682|2.610726|4.999022|2.253335|2.110337|1.864464|1.752978|1.829751|2.063165|3.723594|2.346539|2.320242|3.725840|1.556562|1.730999|3.842851|4.276634|5.957841|8.128907|5.950699|4.278326|10.433369|4.241017|23.966644|36.858105| |3.307586|3.766782|4.253293|0.080868|2.612922|2.223689|3.292118|3.409100|4.533609|3.876572|0.108916|3.127265|2.936804|5.702974|2.406162|2.184734|1.893949|1.786254|1.897882|2.193564|4.057887|2.673451|2.733089|4.288199|1.567149|1.728501|5.210056|7.885354|14.213030|8.228792|5.290590|4.621755|7.316822|3.219817|12.734187|5.851496|73.516695| |3.089192|3.355096|3.879386|0.076226|2.377752|2.072636|2.969841|3.220962|4.280905|3.681964|0.109853|2.987939|2.845052|5.605155|2.332151|2.134662|1.850907|1.737792|1.836267|2.115267|3.887934|2.548345|2.590864|4.071512|1.527685|1.699117|4.518405|6.708680|8.006832|5.273216|3.988272|3.794532|5.731644|2.672827|8.360072|4.250081|24.118709|36.858105| |17.592875|8.721941|9.165207|0.185396|6.392516|4.758999|4.448259|3.799122|4.069989|2.657593|0.071921|2.243988|1.944511|3.363202|1.750357|1.561714|1.435610|1.447764|1.591220|1.766937|3.506178|2.234194|2.627449|4.711224|1.318142|1.299281|2.807147|2.905983|2.916503|2.835603|2.729775|2.720218|4.489125|2.291220|4.826341|2.267519|5.034884|2.644546|0.500000| |17.551135|8.791316|9.272607|0.218181|5.185160|4.224462|4.761422|4.563758|4.662526|3.044189|0.085073|2.487233|2.132166|3.704335|1.887644|1.672386|1.522556|1.527063|1.682350|1.890163|3.761360|2.440843|2.895272|5.083321|1.378814|1.372052|3.142276|3.345535|3.222775|2.956430|2.801072|2.879226|4.431134|2.248596|4.861145|2.292913|5.598980|3.058711|0.300331|0.500000| |17.590184|8.951704|7.535502|0.148423|4.610496|3.559705|4.162752|3.786053|4.131059|2.829027|0.077906|2.331604|2.040818|3.601105|1.801894|1.613644|1.467240|1.458775|1.590417|1.781436|3.485786|2.246876|2.578499|4.453639|1.319237|1.332557|3.104745|3.412502|3.544968|3.323026|3.020230|2.936560|4.830650|2.377850|5.699784|2.626144|6.382737|3.345048|0.302993|0.302513|0.500000| |8.765079|17.625569|12.405458|0.182991|7.395322|4.680995|6.654364|4.869103|5.254835|3.458795|0.088922|2.825322|2.398205|4.138209|2.109805|1.853485|1.676804|1.680110|1.860118|2.109175|4.211443|2.759290|3.255691|5.619241|1.504925|1.500142|3.970111|4.023300|4.177786|4.305531|4.206361|4.046649|6.764038|3.285885|7.095303|3.080259|6.695990|3.225683|0.208122|0.172110|0.211946|0.500000| |8.853162|17.653745|12.348440|0.210610|5.625514|4.138337|7.611774|6.716736|6.627459|4.399897|0.116691|3.321922|2.753043|4.788122|2.343996|2.032555|1.808460|1.795748|1.995355|2.308360|4.629307|3.140886|3.754832|6.200213|1.587800|1.606489|5.048695|5.447101|5.221531|4.727775|4.430091|4.561468|6.515483|3.137383|7.182606|3.137417|8.209995|4.076120|0.172390|0.211390|0.215294|0.303281|0.500000| |6.883484|7.519269|12.354077|0.212702|17.660779|8.860164|5.632214|4.150756|4.481930|2.785680|0.072419|2.411175|2.053289|3.465749|1.878568|1.658241|1.535077|1.572674|1.753429|1.941258|3.933916|2.488847|3.016390|5.641853|1.433453|1.375598|2.894602|2.801275|2.755926|2.807292|2.886791|2.937227|4.886729|2.589724|4.700564|2.213088|4.522195|2.323099|0.237311|0.156953|0.145802|0.210329|0.147905|0.500000| |4.957308|6.648185|12.419138|0.183263|17.625380|8.760524|7.411443|4.689101|5.259928|3.192524|0.079559|2.793164|2.336773|3.879867|2.141649|1.865394|1.721390|1.774378|2.002946|2.236412|4.605131|2.932588|3.613009|6.805973|1.604261|1.525045|3.354412|3.077587|3.002309|3.181238|3.471360|3.585777|5.979370|3.249625|5.205539|2.425640|4.718805|2.365314|0.143848|0.118275|0.114539|0.206963|0.145168|0.302364|0.500000| |3.798261|4.142315|7.543059|0.148682|8.944575|17.589296|4.647208|3.638122|4.195898|2.538175|0.065439|2.318695|1.976405|3.260899|1.870236|1.648996|1.554995|1.630715|1.840444|1.997543|4.116490|2.514130|3.080431|6.220866|1.504751|1.386794|2.499663|2.321438|2.220316|2.273568|2.432195|2.564979|4.210128|2.364484|3.774803|1.844266|3.607067|1.887837|0.117380|0.099687|0.088291|0.113469|0.096762|0.214603|0.212177|0.500000| |3.803101|4.453201|9.220197|0.186146|8.719528|17.594147|6.495679|4.965165|5.596408|3.157129|0.080025|2.867854|2.357725|3.810480|2.220005|1.912445|1.788590|1.890141|2.180931|2.410342|5.153888|3.212640|4.223408|9.101630|1.718713|1.567908|2.984410|2.679513|2.470074|2.496100|2.729337|3.016779|4.600593|2.606277|4.008934|1.950323|3.917453|2.057654|0.108792|0.103346|0.087681|0.116216|0.108586|0.172457|0.207510|0.302647|0.500000| |4.538540|4.735381|9.271509|0.218480|8.799108|17.553555|5.213553|4.343274|4.684981|2.765546|0.072861|2.459010|2.068107|3.419212|1.929917|1.690534|1.581053|1.649400|1.865843|2.048964|4.250976|2.649799|3.337651|6.722955|1.510968|1.406100|2.654374|2.500510|2.337788|2.313321|2.425917|2.607047|4.058846|2.233093|3.782335|1.842254|3.820591|2.038233|0.137714|0.127330|0.100455|0.117933|0.110576|0.212601|0.172172|0.302643|0.300328|0.500000| |4.131490|5.650451|12.295151|0.207386|7.605758|6.932881|17.694526|8.905589|9.596584|4.794087|0.113030|4.087393|3.134196|4.978704|2.825375|2.347684|2.128786|2.219156|2.602674|3.027789|6.690305|4.557173|6.676482|13.116475|1.952387|1.828542|4.528203|3.779794|3.341671|3.386261|3.880844|4.610508|6.221681|3.480231|5.142124|2.429656|5.010775|2.566817|0.107906|0.110224|0.096893|0.146334|0.149216|0.148956|0.215682|0.147671|0.239886|0.156065|0.500000| |4.741680|7.554019|12.382050|0.183590|6.484483|4.880321|17.658469|8.773320|9.645460|5.591490|0.127960|4.329997|3.355962|5.519208|2.878761|2.408051|2.135429|2.159795|2.473876|2.924221|6.146113|4.314689|5.547870|9.054699|1.881837|1.848696|6.306649|5.216210|4.685243|4.862337|5.672135|6.680030|8.430480|4.327790|6.989339|3.109405|6.619082|3.213848|0.116376|0.119835|0.115278|0.207757|0.221671|0.142453|0.198600|0.112710|0.141950|0.117140|0.301010|0.500000| |4.864725|6.388596|9.406542|0.196025|4.516280|3.926368|8.767905|17.615067|12.655947|7.256628|0.200059|4.753230|3.600554|6.046690|2.960387|2.464099|2.151159|2.145452|2.443348|2.931523|6.109976|4.458003|5.778407|8.798808|1.855744|1.863706|6.563142|6.258786|4.745726|4.064830|4.134191|5.013088|5.909570|3.019763|5.833359|2.726682|7.074551|3.827173|0.110886|0.143584|0.118762|0.140930|0.230658|0.109518|0.116182|0.089758|0.113314|0.107435|0.173778|0.207796|0.500000| |4.171968|5.085649|9.328920|0.220540|4.867732|4.796674|8.854486|17.553608|12.554025|5.728881|0.152596|4.461792|3.345089|5.369899|2.917939|2.410315|2.154280|2.215277|2.583256|3.056140|6.698880|4.767109|7.166161|12.522895|1.932791|1.850300|4.640701|4.120574|3.366798|3.094612|3.292084|3.978597|5.021812|2.713046|4.646069|2.242601|5.193333|2.836056|0.102803|0.125646|0.098192|0.116561|0.150718|0.112502|0.120420|0.105126|0.148945|0.134384|0.216681|0.173192|0.301452|0.500000| |1.644401|1.851568|2.600625|0.051596|1.738496|1.680779|2.231269|2.450136|4.058682|3.575770|0.096046|4.646433|7.134325|13.120051|8.984999|17.738840|8.943461|5.631060|4.968758|5.690300|7.483976|4.028762|3.082569|4.736558|4.082483|7.029315|3.291756|2.905162|2.573887|2.518862|2.773624|3.199165|4.546557|2.679803|3.910768|2.203387|4.046090|2.239105|0.042597|0.045750|0.044534|0.050577|0.055742|0.044582|0.049722|0.043608|0.050054|0.044827|0.061387|0.064389|0.066656|0.063576|0.500000| |1.656563|1.870563|2.816299|0.056418|1.962873|2.016033|2.451801|2.610306|4.307404|3.131430|0.079789|4.054990|4.125938|5.935174|5.644568|4.968874|5.600757|8.893942|17.740561|8.978251|13.413085|4.965681|3.911875|6.750918|7.031445|4.066534|2.687244|2.277332|2.022233|2.034301|2.317649|2.723666|3.951525|2.461527|3.205687|1.720460|3.171593|1.723647|0.044001|0.046220|0.043424|0.050884|0.054004|0.049105|0.056189|0.052792|0.062790|0.053199|0.073027|0.067360|0.065712|0.071407|0.107834|0.500000| |1.312491|1.443176|2.094789|0.042207|1.463516|1.482585|1.746635|1.857728|2.921698|2.235985|0.059857|2.710626|3.042846|4.882911|3.961222|4.602357|6.683308|8.851959|5.924889|4.317936|6.153024|2.867098|2.399304|4.080571|17.555258|6.531511|2.017508|1.805872|1.647019|1.644511|1.805092|2.019181|3.108728|1.890783|2.658468|1.472533|2.664073|1.474046|0.034926|0.036700|0.035050|0.039426|0.041800|0.037604|0.041614|0.039305|0.044676|0.039755|0.050286|0.048589|0.048876|0.050801|0.107848|0.152834|0.500000| |1.379398|1.527560|2.249049|0.045144|1.587733|1.623887|1.890252|1.982916|3.128135|2.328577|0.061066|2.837874|3.047886|4.742974|3.970023|4.186781|5.539917|8.855893|7.362256|4.795132|7.080038|3.145484|2.648320|4.602948|17.602674|4.727306|2.093423|1.843556|1.681225|1.697140|1.891452|2.130359|3.286495|2.034686|2.738296|1.500789|2.695571|1.475051|0.036881|0.038427|0.036579|0.041859|0.043902|0.040487|0.045402|0.043197|0.049466|0.043202|0.055382|0.052409|0.051295|0.054353|0.095963|0.225621|0.301725|0.500000| |1.324303|1.467050|2.125593|0.042362|1.497323|1.507036|1.779560|1.854661|2.918297|2.234486|0.058617|2.710991|3.040815|4.875183|3.959652|4.601094|6.684169|8.849954|5.920593|4.315253|6.148006|2.865638|2.396840|4.077613|17.554487|6.535314|2.063718|1.830683|1.689642|1.718205|1.912794|2.123564|3.353960|2.085221|2.788850|1.551706|2.715534|1.481365|0.035327|0.036696|0.035416|0.040495|0.042358|0.038423|0.043073|0.040173|0.045405|0.039999|0.051466|0.050129|0.048616|0.050098|0.107812|0.152650|0.302717|0.301671|0.500000| |1.308182|1.437229|2.043620|0.041039|1.408575|1.399410|1.699708|1.823817|2.874842|2.302291|0.062579|2.780425|3.357494|5.710814|4.281845|5.907692|8.820493|6.646924|4.574763|3.969946|5.520550|2.742868|2.266784|3.733239|6.506704|17.549955|2.117692|1.925463|1.762264|1.746209|1.892702|2.098119|3.231601|1.934269|2.822032|1.590915|2.866053|1.598036|0.034528|0.036545|0.035307|0.039314|0.042149|0.036433|0.040060|0.036930|0.041668|0.037603|0.047891|0.047935|0.049004|0.049113|0.152767|0.107274|0.212662|0.133193|0.174106|0.500000| |1.320008|1.460966|2.072439|0.041186|1.438816|1.420092|1.730234|1.821138|2.871982|2.300931|0.061171|2.781189|3.355107|5.698787|4.280304|5.904583|8.818733|6.645822|4.573433|3.968485|5.517860|2.742015|2.265040|3.731528|6.505490|17.548815|2.171584|1.955813|1.814942|1.835410|2.018259|2.216283|3.510279|2.144327|2.979781|1.692297|2.930652|1.607474|0.034919|0.036544|0.035684|0.040379|0.042726|0.037181|0.041361|0.037651|0.042263|0.037814|0.048914|0.049418|0.048748|0.048482|0.152639|0.107227|0.173945|0.133188|0.212762|0.302553|0.500000| |1.371712|1.516276|2.129841|0.042454|1.457148|1.426395|1.779052|1.906380|3.023349|2.499818|0.067728|3.023616|3.853798|6.883436|4.768518|7.340520|8.869996|5.539575|4.173344|3.987065|5.522800|2.849345|2.329811|3.759226|4.728742|17.598075|2.353598|2.144845|1.972710|1.960107|2.124774|2.343257|3.617509|2.156361|3.157096|1.803515|3.195286|1.774439|0.036002|0.038135|0.037250|0.041668|0.044839|0.037738|0.041647|0.037540|0.042257|0.038183|0.049559|0.050897|0.051732|0.050504|0.225478|0.095703|0.133563|0.103930|0.133610|0.302167|0.302118|0.500000| |3.345217|3.946407|4.896844|0.096480|2.837373|2.495254|4.133525|5.045328|7.136095|7.107348|0.232464|4.818154|4.225305|8.181804|3.191007|2.751463|2.307187|2.176224|2.369956|2.863061|5.415268|3.811534|3.893731|5.728400|1.857371|2.036483|8.946889|17.759471|8.870881|5.626912|4.947604|5.644918|6.528859|3.139176|7.496127|3.622636|12.577132|7.460256|0.078625|0.094198|0.093093|0.100803|0.140638|0.073528|0.078106|0.061446|0.070925|0.067674|0.096278|0.123336|0.177378|0.115529|0.078744|0.061179|0.049358|0.049864|0.049238|0.052865|0.052722|0.058455|0.500000| |2.789275|3.566924|5.090947|0.091982|3.270310|2.903226|5.073181|4.867742|8.428246|6.989033|0.141008|6.753118|5.401822|8.559354|4.396331|3.519537|2.964432|2.909888|3.341939|4.203468|8.347128|5.947367|5.639914|8.057796|2.413869|2.480051|8.918686|5.645790|4.940827|5.619185|8.893283|17.764465|12.582060|7.474504|7.497496|3.622852|6.520486|3.138592|0.070767|0.073713|0.073715|0.101794|0.109605|0.079520|0.100075|0.073037|0.087363|0.072827|0.134805|0.174937|0.124708|0.108789|0.093689|0.086303|0.060849|0.065513|0.064943|0.061944|0.066290|0.068642|0.124368|0.500000| |2.243847|2.693611|3.632195|0.065601|2.606053|2.304971|3.052125|2.710835|3.958978|3.030023|0.073069|3.010789|2.877578|4.979267|2.676824|2.448832|2.229935|2.189031|2.344383|2.602599|4.777884|2.886882|2.823508|4.664918|1.947059|2.008537|3.621413|3.191326|3.421413|4.435913|5.894682|4.905236|17.001385|17.662799|7.659517|4.056740|5.132648|2.419099|0.059505|0.057457|0.061402|0.082951|0.077159|0.067138|0.082907|0.061762|0.066274|0.057505|0.084012|0.100661|0.072551|0.066175|0.067074|0.062338|0.049318|0.053026|0.054779|0.050367|0.056237|0.055934|0.075246|0.146095|0.500000| |2.239282|2.711568|3.719712|0.068004|2.567314|2.306104|3.279825|3.051276|4.738613|3.819390|0.089217|3.971876|3.873677|6.629155|3.530941|3.156823|2.777036|2.679411|2.893165|3.331125|6.005069|3.677522|3.394958|5.372160|2.300073|2.433363|4.617737|3.795009|3.857223|4.845333|7.127822|6.747740|16.428195|17.577872|7.494138|3.996350|5.535245|2.639359|0.058390|0.058456|0.060819|0.080552|0.080055|0.065008|0.079763|0.060557|0.067664|0.058067|0.089914|0.107898|0.081206|0.073412|0.086261|0.074849|0.057674|0.061791|0.064364|0.059866|0.067465|0.067964|0.087947|0.220577|0.299749|0.500000| |2.571883|3.219812|4.536629|0.080236|3.220883|2.829352|4.072783|3.477523|5.189325|3.821720|0.087985|3.773262|3.379283|5.596330|3.101693|2.702385|2.431314|2.436626|2.712562|3.102219|5.973484|3.718543|3.738142|6.126492|2.127684|2.120511|4.533114|3.691812|3.729481|4.682983|6.925402|6.680282|16.410577|17.555356|7.312334|3.589229|5.363317|2.544620|0.067756|0.065912|0.068564|0.098527|0.092199|0.079796|0.105023|0.074435|0.083327|0.069105|0.114510|0.139704|0.089707|0.082882|0.072223|0.072662|0.053459|0.058560|0.058800|0.053305|0.058605|0.058286|0.085706|0.227663|0.300315|0.298750|0.500000| |2.378251|2.666480|3.179940|0.059179|2.160788|1.861884|2.437669|2.313904|3.166042|2.553271|0.067385|2.319993|2.277201|4.312577|2.004089|1.891705|1.694947|1.603930|1.668479|1.857332|3.356688|2.090343|2.085424|3.400243|1.440230|1.586918|3.205186|3.527721|4.674007|5.909260|4.670945|3.529720|8.648008|3.713396|16.881241|17.647744|8.622270|3.714417|0.061133|0.060709|0.070641|0.081020|0.079977|0.059230|0.064019|0.049211|0.051141|0.048807|0.062024|0.077728|0.067998|0.056950|0.054625|0.043895|0.037943|0.038711|0.039992|0.040742|0.043315|0.045792|0.085692|0.085733|0.102778|0.095814|0.089103|0.500000| |2.396909|2.703665|3.243018|0.061062|2.137270|1.858396|2.543273|2.512710|3.507933|2.961386|0.079385|2.658431|2.656023|5.209881|2.268010|2.139511|1.877491|1.747727|1.813146|2.049026|3.667348|2.315217|2.268732|3.619189|1.548236|1.752009|3.826679|4.461507|6.262285|7.193965|5.175045|4.017362|8.428665|3.633698|16.424175|17.591865|11.976996|4.970723|0.060407|0.062497|0.070786|0.079317|0.084062|0.057842|0.062379|0.048462|0.051569|0.049111|0.063962|0.080679|0.075227|0.061315|0.062840|0.047099|0.040929|0.041271|0.042756|0.044821|0.047256|0.051133|0.107757|0.094026|0.095161|0.098724|0.087450|0.299642|0.500000| |2.291565|2.646128|3.265534|0.060561|2.202514|1.917208|2.614020|2.503926|3.560782|2.959812|0.076316|2.747403|2.747661|5.253653|2.392053|2.254491|1.990160|1.862560|1.935320|2.178806|3.891130|2.429308|2.358813|3.779329|1.649527|1.848468|3.829035|4.019553|5.183413|7.193248|6.258350|4.467288|12.018677|4.947339|16.422878|17.591659|8.413352|3.645911|0.058728|0.059154|0.066188|0.079502|0.080290|0.058947|0.065891|0.050406|0.053626|0.049864|0.067068|0.084578|0.072522|0.060877|0.065497|0.050315|0.043118|0.044018|0.045958|0.046792|0.050494|0.053569|0.094108|0.107817|0.133254|0.132250|0.110429|0.299655|0.298471|0.500000| |2.867827|3.011870|3.475289|0.068568|2.179483|1.909406|2.600695|2.762262|3.645959|3.047208|0.089936|2.559501|2.470184|4.839531|2.075376|1.928752|1.693720|1.592056|1.668903|1.894981|3.462137|2.227836|2.263384|3.616962|1.414128|1.573418|3.623274|4.898969|5.894841|4.441324|3.421260|3.190420|5.138567|2.418950|7.652477|4.065760|16.996867|17.662363|0.069219|0.078607|0.087895|0.081438|0.098195|0.059968|0.060193|0.048788|0.052283|0.052356|0.063352|0.077584|0.089179|0.068930|0.056279|0.043700|0.038032|0.037955|0.038246|0.041270|0.041546|0.045701|0.145906|0.075233|0.061977|0.066085|0.063779|0.102799|0.133995|0.095477|0.500000| |3.483961|3.721166|4.254481|0.085024|2.545665|2.217351|3.205220|3.569919|4.586182|3.851089|0.118116|3.037163|2.813729|5.424176|2.310713|2.091227|1.820161|1.725687|1.839584|2.123202|3.959886|2.618133|2.724796|4.294049|1.518443|1.660562|4.528327|6.663148|6.893635|4.668649|3.717025|3.679689|5.350367|2.539159|7.275785|3.584629|16.404597|17.554925|0.081003|0.098215|0.104760|0.095824|0.128744|0.069176|0.069082|0.055534|0.060902|0.061231|0.075821|0.094165|0.122499|0.087772|0.060248|0.048250|0.040754|0.040939|0.040658|0.043637|0.043521|0.047826|0.228069|0.085485|0.063650|0.069286|0.068586|0.088865|0.110577|0.087465|0.300428|0.500000| 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