Version2.0 2020-01-11T03:43:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@H]4C=c5ccccc5=[NH+]4 C63281869 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@H]4C=c5ccccc5=[NH+]4 C01[X(C26H30N5O5)] 192 C1 600 CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@H]1C=c2c(=[NH+]1)cccc2)C CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@H]1C=c2c(=[NH+]1)cccc2)C CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@H]2C=C3C=CC=CC3=[NH+]2)C(=O)Nc4ccc5OCOc5c4 InChIKey=DHELOQHZZPPIRQ-OFNKIYASSA-O InChI=1S/C26H29N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,20,23H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/p+1/t20-,23+/m1/s1 InChI=1/C26H29N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,20,23H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/p+1/t20-,23+/m1/s1/fC26H30N5O5/h27-29H/q+1 CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@H]4C=c5ccccc5=[NH+]4 C01[X(C26H30N5O5)] 192 C01 600 CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@H]1C=c2c(=[NH+]1)cccc2)C O=C(N1CCN(CC1)C(=O)[C@@H]1N[C@@H]2C(=C1)C=CC=C2)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]2N[C@H]3C=CC=CC3=C2)C(=O)Nc4ccc5OCOc5c4 InChIKey=APWUQTIECMFMBJ-MZKRTTBSSA-N InChI=1S/C26H31N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,19-20,23,28H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/t19-,20+,23-/m0/s1 InChI=1/C26H31N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,19-20,23,28H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/t19-,20+,23-/m0/s1/f/h27,29H 3606.9216746387 -1648.4183923 1-A 35668.9471 130 470 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66513 -20.65231 -20.64753 -20.60471 -20.59446 -15.78460 -15.72084 -15.67183 -15.67010 -15.65023 -11.49880 -11.49723 -11.45881 -11.45386 -11.45107 -11.43067 -11.42459 -11.42150 -11.41077 -11.39669 -11.39508 -11.39496 -11.39321 -11.37599 -11.36263 -11.34943 -11.34746 -11.34275 -11.34185 -11.33883 -11.30118 -11.29229 -11.28934 -11.27818 -11.27306 -11.27014 -1.54267 -1.53826 -1.48946 -1.48495 -1.47146 -1.42719 -1.39448 -1.33736 -1.32561 -1.31418 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.4650 8.8215 12.1107 22.1251 38.0891 40.1454 51.7619 59.1761 60.9130 69.7245 74.3258 76.8447 83.7055 94.2505 121.0567 134.9827 145.4015 176.1047 185.8006 218.0176 220.9833 233.0071 237.9812 260.1369 268.1154 277.6836 284.8145 293.1725 306.8324 321.6295 338.6615 376.5934 397.4797 400.0821 408.5864 428.1481 434.0301 442.9597 469.0392 476.2996 478.3096 498.6639 505.4093 526.9319 539.7815 577.9420 581.0182 588.6942 590.0722 616.7657 633.3999 643.9467 671.6116 683.5480 691.5344 714.0330 730.4670 760.4611 768.2480 783.5580 799.7385 808.2727 826.9765 837.4517 839.1459 864.4139 871.2383 886.5393 899.0627 903.2218 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4949.87 4988.22 5538.17 5540.50 5573.33 0.587564 0.618298 0.619242 0.518437 -1647.830828 -1647.800094 -1647.799150 -1647.899955 3.381016D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@H]4C=c5ccccc5=[NH+]4 C63281869 RHF 6-31G(d) (6D,10F) C1 492.224694 |X|Y|Z| 50.660328 38.691309 177.778006 70.369827 30 6 7 8 23 5 2 |36.858105| |12.446433|36.858105| |7.545540|12.441328|36.858105| |7.519252|12.298915|7.427724|36.858105| |7.030514|8.856254|5.474748|17.615699|0.500000| |4.887902|7.478709|6.251262|12.418399|0.246540|36.858105| |4.049265|5.658520|5.589972|7.988066|0.168531|15.818243|73.516695| |4.285480|6.141993|5.056023|7.854102|0.202852|14.125955|14.955534|53.358707| |3.282309|4.321156|3.938552|5.000641|0.132577|7.624817|11.539505|18.290541|36.858105| |2.861828|3.684420|3.632097|4.192207|0.107033|6.262341|11.607550|10.516104|13.790183|36.858105| |2.382430|2.926505|2.915462|3.211055|0.084343|4.291717|7.936510|6.933355|7.881051|13.578831|36.858105| |2.247175|2.698532|2.618559|2.911948|0.078944|3.698670|6.463180|6.234290|6.944744|8.038455|13.990082|36.858105| |2.436253|2.923743|2.729322|3.149364|0.087764|3.933279|6.458514|7.141024|8.059408|6.957871|7.968224|13.787471|36.858105| |2.929450|3.632203|3.252356|3.997807|0.112717|5.168663|7.888412|10.847309|13.544207|7.856492|6.768719|7.928918|13.980414|36.858105| |2.158784|2.503928|2.337663|2.643642|0.074808|3.123186|5.154607|5.368579|5.198325|4.677117|5.415091|8.545344|14.100752|7.795082|73.516695| |1.903282|2.187005|2.092702|2.306925|0.064409|2.717027|4.648205|4.441355|4.213293|4.210063|5.358779|8.594402|8.598175|5.364332|23.971001|36.858105| |1.948166|2.274917|2.223065|2.414483|0.066016|2.927272|5.152085|4.721006|4.665945|5.174600|7.738200|14.029024|8.539361|5.400436|14.908527|13.536119|73.516695| |6.277274|7.623870|6.265203|13.127465|0.256771|7.935319|12.909346|7.183427|3.904920|3.559443|2.824721|2.532203|2.650209|3.191605|4.031618|2.035129|3.814896|53.358707| |5.410986|5.470602|4.493173|7.811654|0.213388|5.444359|9.008390|5.678117|3.260225|2.974374|2.452503|2.248415|2.366108|2.798417|3.682304|1.867964|3.452912|19.031011|36.858105| |5.481703|5.119956|3.965247|6.877476|0.227431|4.797744|7.519269|5.431775|3.129729|2.777894|2.324776|2.181733|2.341692|2.783554|3.692891|1.855237|3.373149|11.486235|15.866556|73.516695| |4.077108|4.078779|3.706818|5.190594|0.137925|4.233076|7.639326|4.566501|2.780925|2.640744|2.230917|2.034735|2.098023|2.409341|3.298574|1.704703|3.169625|11.141245|13.708936|14.996360|53.358707| |3.429175|3.272674|2.961591|3.925341|0.110753|3.299860|5.847433|3.786064|2.372797|2.248773|1.949739|1.810495|1.874246|2.121873|3.000755|1.557959|2.864740|7.114871|7.880928|12.664568|17.840692|36.858105| |2.732993|2.687924|2.522178|3.169896|0.088066|2.850064|5.228589|3.326535|2.155218|2.091798|1.844691|1.707745|1.742445|1.935460|2.804638|1.476479|2.728086|5.488560|5.199984|8.334080|10.654671|12.540293|36.858105| |2.610877|2.593477|2.534915|2.976010|0.079750|2.722914|5.134788|3.150809|2.061633|2.039732|1.804893|1.654164|1.666485|1.835907|2.677318|1.420778|2.648900|5.198990|4.526464|6.903192|9.193287|7.756650|12.950219|53.358707| |2.877718|2.952368|2.967060|3.430675|0.088345|3.177163|6.206689|3.556487|2.309223|2.313578|2.016418|1.816529|1.815306|2.010344|2.878847|1.527079|2.879124|6.290867|5.127080|7.221775|10.661996|6.639090|7.765809|17.748305|36.858105| |3.727652|3.781141|3.752886|4.449893|0.111382|3.831006|7.294298|4.130708|2.579641|2.526100|2.151984|1.939320|1.964356|2.220277|3.090809|1.616743|3.037943|9.157426|7.650564|9.574757|17.918515|7.897547|6.639143|10.573404|12.494744|36.858105| |2.228250|2.203429|2.178031|2.462535|0.066364|2.293901|4.317384|2.716821|1.810956|1.804923|1.623903|1.497046|1.501041|1.632736|2.434395|1.302238|2.423895|4.106579|3.440075|5.475641|6.244927|5.270298|7.902336|19.332285|7.631511|5.185199|36.858105| |2.040808|2.002136|1.956236|2.226455|0.061004|2.078362|3.861211|2.504647|1.681049|1.667404|1.513584|1.408445|1.417106|1.534403|2.316323|1.240809|2.295227|3.614522|3.047796|5.034544|5.286076|4.686250|6.949079|11.499216|5.297249|4.072919|15.915653|73.516695| |2.066663|2.060508|2.095170|2.250614|0.059673|2.130191|4.060065|2.531621|1.706418|1.723858|1.562251|1.433436|1.423889|1.535980|2.311604|1.245319|2.331417|3.695009|2.942088|4.651037|5.076275|3.907724|4.957688|10.434855|6.445224|4.507690|12.233578|14.383966|36.858105| |2.067892|2.101594|2.162236|2.310417|0.060601|2.227627|4.324037|2.632326|1.784703|1.824224|1.652562|1.503339|1.481551|1.593865|2.393799|1.294414|2.440332|3.799257|2.950601|4.591189|5.053379|3.688913|4.586403|9.401017|6.924796|4.596836|8.677904|10.865110|17.559823|0.500000| |2.135168|2.093858|2.158101|2.227317|0.058651|2.074786|3.916750|2.466360|1.653084|1.662288|1.504123|1.383245|1.378468|1.490270|2.241304|1.204242|2.250633|3.644337|2.866797|4.542201|4.830424|3.656024|4.196454|8.158392|5.543038|4.427940|7.441351|10.162798|12.690359|0.247112|36.858105| |1.888747|1.841435|1.894574|1.934002|0.051376|1.811975|3.392132|2.189128|1.480951|1.489021|1.361605|1.261047|1.256582|1.349085|2.058745|1.110339|2.067816|3.080629|2.410359|3.914011|3.912488|3.009803|3.404850|5.994787|4.008170|3.394110|5.530393|8.761432|8.182289|0.173442|14.211211|36.858105| |1.789813|1.727668|1.786524|1.779891|0.047352|1.662609|3.084996|2.027137|1.374689|1.378650|1.266465|1.178834|1.176767|1.260235|1.937140|1.045207|1.940938|2.785881|2.157381|3.549712|3.394224|2.593625|2.807487|4.648455|3.202257|2.889203|3.978206|6.594559|5.061979|0.119350|7.443911|13.161655|36.858105| |1.596763|1.543477|1.587647|1.588287|0.042553|1.494451|2.763170|1.841740|1.258463|1.262785|1.169085|1.093677|1.091215|1.162131|1.806305|0.977917|1.811238|2.448665|1.894268|3.157904|2.934835|2.259987|2.454215|3.921903|2.678087|2.427828|3.367131|5.854951|4.101794|0.099096|5.161507|7.973335|14.241859|36.858105| |1.497192|1.457850|1.488465|1.516268|0.040843|1.438671|2.665783|1.780298|1.223234|1.230177|1.143941|1.071675|1.067389|1.132626|1.770477|0.961426|1.779800|2.330306|1.811260|3.032344|2.813650|2.189233|2.438570|3.862733|2.584731|2.290912|3.424059|6.189467|4.155377|0.100146|4.673107|6.887984|7.842662|13.098580|36.858105| |1.540003|1.510415|1.535377|1.591752|0.042910|1.516892|2.826280|1.870014|1.285277|1.295479|1.202971|1.123893|1.117538|1.186442|1.849053|1.004641|1.863106|2.465194|1.928436|3.212251|3.041053|2.383397|2.744280|4.425115|2.893267|2.476681|4.127999|7.606052|5.192546|0.121755|5.310157|7.626134|6.572280|7.681874|14.081777|36.858105| |1.724109|1.695351|1.727111|1.801228|0.048263|1.709025|3.204856|2.081464|1.420378|1.432379|1.319045|1.224754|1.217618|1.300080|2.001638|1.084070|2.017052|2.841427|2.234280|3.664580|3.614591|2.827527|3.331745|5.717396|3.678217|3.025430|5.681537|9.833362|8.359942|0.175922|8.471655|13.099661|7.593087|6.805933|8.088588|13.435720|36.858105| |1.794738|1.783946|1.807980|1.929049|0.051682|1.842540|3.484178|2.230630|1.521945|1.539433|1.413381|1.306746|1.296419|1.386060|2.122626|1.149763|2.145020|3.075694|2.434521|3.954969|4.024690|3.155435|3.921475|7.032595|4.374665|3.371669|7.762263|13.005059|13.172745|0.254578|8.332003|8.439603|5.283805|4.660980|5.270797|7.723780|14.572020|53.358707| |1.706921|1.702825|1.711818|1.853718|0.050033|1.783120|3.366726|2.173375|1.490942|1.508553|1.391584|1.290378|1.279685|1.363675|2.100850|1.140474|2.124299|2.929745|2.328495|3.820570|3.817339|3.029057|3.840378|6.513168|3.984218|3.095190|7.058736|13.489335|8.883760|0.202286|5.887975|5.940642|4.238954|3.959345|4.654922|6.821818|9.337029|25.965472|0.500000| |17.556115|8.821506|6.898518|5.479417|0.143517|4.059627|6.163253|5.078934|2.985894|2.634484|2.236475|2.128290|2.302862|2.722892|3.674112|1.829169|3.316298|6.414967|4.161248|7.487447|4.573967|2.919582|2.397895|3.162345|2.539513|3.185022|2.023400|3.314917|1.904660|0.052872|1.987853|1.780667|1.709953|1.533213|1.431577|1.460665|1.622012|2.275846|0.044130|0.500000| |17.568964|8.742996|5.476680|6.928864|0.213513|4.574445|6.630491|5.704572|3.217728|2.750929|2.311330|2.216015|2.440976|2.952006|3.883771|1.910078|3.429431|7.752396|5.420627|10.917365|5.444131|3.498082|2.752888|3.478009|2.742608|3.480922|2.185448|3.605582|1.996033|0.055098|2.040770|1.816289|1.718243|1.543609|1.457214|1.502445|1.674285|2.377524|0.046474|0.301206|0.500000| |17.563226|8.774240|6.853361|6.721916|0.169447|4.465909|6.957880|5.118983|2.955929|2.656143|2.227841|2.081645|2.218463|2.618276|3.506846|1.764522|3.231068|9.329580|6.188106|10.589047|6.464675|3.930985|3.052006|4.012124|3.267702|4.424423|2.484240|4.000641|2.297372|0.063428|2.405103|2.103658|1.988508|1.753835|1.631828|1.677630|1.895280|2.680250|0.051594|0.301858|0.301973|0.500000| |8.949928|17.510493|8.931679|8.934593|0.216692|6.987360|9.100964|9.351461|4.807223|3.899400|3.106743|2.927254|3.261565|4.159883|4.952078|2.381981|4.357802|7.636290|4.389820|7.687091|4.625557|2.836613|2.383649|3.111456|2.557009|3.139430|1.974299|3.227573|1.852330|0.052494|1.872379|1.667049|1.572531|1.418492|1.346304|1.392432|1.548548|2.213137|0.043381|0.216237|0.212294|0.173936|0.500000| |6.814151|8.780988|17.552429|6.705294|0.138848|5.520801|9.540786|5.841423|3.441381|3.277342|2.672120|2.384641|2.447751|2.858485|3.761410|1.921885|3.640698|9.393607|4.907161|7.316788|5.710857|3.261471|2.767232|3.872236|3.418214|4.488347|2.418798|3.803770|2.342689|0.067296|2.442100|2.113683|1.984254|1.741724|1.621048|1.672994|1.901586|2.709395|0.051869|0.168451|0.139551|0.202585|0.173808|0.500000| |5.470394|8.710078|17.566597|6.731997|0.138964|7.001017|11.750519|7.740129|4.555187|4.339278|3.388275|2.958559|3.027590|3.601784|4.513060|2.281434|4.391336|7.631570|4.033404|6.304667|4.653410|2.741309|2.397159|3.295586|2.857008|3.485595|2.094587|3.346644|2.030118|0.058904|2.065495|1.817772|1.707341|1.524817|1.438905|1.489832|1.672275|2.395468|0.046490|0.141120|0.122140|0.139443|0.212600|0.301387|0.500000| |6.954091|8.824233|17.561801|5.443047|0.123314|4.737227|7.635566|5.704105|3.440926|3.188915|2.652277|2.427900|2.536016|2.963679|3.935943|1.989158|3.726829|6.428479|3.706959|6.044858|4.292382|2.620896|2.256767|3.097957|2.609621|3.215219|1.991084|3.206580|1.932910|0.055066|2.013730|1.791596|1.712984|1.529813|1.427802|1.460509|1.629167|2.296636|0.044345|0.209112|0.141364|0.171764|0.214497|0.301989|0.302202|0.500000| |4.656631|6.462755|4.853040|7.699427|0.227288|9.537447|10.894214|26.065149|9.321663|5.760457|4.273596|4.113150|4.977609|7.702450|6.982315|3.162635|5.742405|6.759091|4.103059|7.341014|4.402753|2.741447|2.374482|3.024315|2.460910|2.875618|1.922775|3.176353|1.781455|0.050941|1.745242|1.557483|1.450108|1.320807|1.275195|1.334734|1.479613|2.146898|0.042715|0.112575|0.131880|0.109093|0.220590|0.112870|0.142050|0.115559|0.500000| |2.947652|3.837934|3.947529|4.434208|0.108445|6.842666|14.923949|9.563765|8.953220|17.836484|8.899237|5.708085|5.005352|5.616962|6.589285|3.442375|7.393169|5.328582|3.186801|5.132184|3.901419|2.391949|2.235326|3.009069|2.562118|2.797536|1.944403|3.159393|1.868791|0.055445|1.799658|1.599499|1.473417|1.342234|1.305134|1.377723|1.533317|2.251682|0.044854|0.074819|0.077257|0.077387|0.108215|0.101117|0.134802|0.094051|0.143883|0.500000| |2.179624|2.635840|2.691837|2.866836|0.074712|3.719751|7.168755|5.614885|5.618594|8.829076|17.747286|8.953053|5.653270|4.899921|7.773692|4.646959|12.135835|3.546788|2.278809|3.807798|2.879224|1.855937|1.779488|2.396554|1.972475|2.073672|1.596253|2.642252|1.550371|0.045829|1.489793|1.351771|1.257060|1.162437|1.139545|1.199196|1.313020|1.915904|0.038522|0.057145|0.058383|0.057391|0.076279|0.069805|0.086779|0.068491|0.097761|0.213790|0.500000| |3.072018|3.720042|3.196117|4.033384|0.118993|4.827092|7.084020|9.919931|8.758373|5.593129|4.898529|5.642140|8.964991|17.726671|12.278386|4.669149|7.777876|4.304985|2.826441|5.135106|3.266526|2.137722|1.927865|2.463567|1.959488|2.180771|1.609244|2.702116|1.504199|0.043028|1.464513|1.328916|1.245025|1.149327|1.119023|1.169710|1.279286|1.850659|0.037165|0.079435|0.088170|0.075060|0.121467|0.077665|0.095075|0.081819|0.233454|0.123330|0.106637|0.500000| |1.795101|2.038803|1.939355|2.177560|0.061339|2.537565|4.367043|4.072402|3.748514|3.744801|4.623857|6.645979|6.651274|4.631880|16.560208|17.604236|16.557961|2.648766|1.809861|3.209028|2.263562|1.532606|1.462005|1.906474|1.495361|1.570483|1.287844|2.191281|1.227811|0.035421|1.181297|1.091161|1.025306|0.961729|0.949161|0.994011|1.070609|1.548727|0.031473|0.047718|0.050368|0.046544|0.061000|0.049980|0.058176|0.051049|0.080822|0.087180|0.115046|0.115721|0.500000| |1.795589|2.042444|1.971192|2.113093|0.058838|2.441235|4.176927|3.928362|3.589066|3.585563|4.420425|6.325804|6.333857|4.429643|16.579177|17.672012|16.590239|2.548404|1.722605|3.045866|2.147428|1.448333|1.373135|1.805853|1.422334|1.505455|1.221855|2.072834|1.173587|0.033820|1.140294|1.055700|0.998378|0.936153|0.919238|0.957332|1.029582|1.479821|0.029924|0.048437|0.049943|0.046242|0.061921|0.050279|0.059443|0.052702|0.078614|0.083879|0.110936|0.111591|0.297142|0.500000| |4.953001|6.201382|5.929944|9.324369|0.188088|8.062974|16.121312|7.012691|3.980124|3.808995|2.994817|2.616453|2.672170|3.166725|4.029381|2.060946|3.926749|26.018077|9.405598|10.976509|10.380420|4.844038|4.017718|5.405624|5.121023|7.225026|3.129522|4.817491|2.865453|0.083792|2.792092|2.336722|2.092643|1.833954|1.750267|1.862322|2.160544|3.214170|0.062378|0.110792|0.123737|0.148444|0.134690|0.188096|0.159864|0.124008|0.127151|0.121499|0.077771|0.084768|0.054734|0.052517|0.500000| |3.466842|3.167276|2.893816|3.600549|0.101093|2.981717|5.230415|3.468725|2.181629|2.065251|1.803660|1.684388|1.746572|1.969357|2.816365|1.463272|2.681357|6.324840|6.541144|11.086029|12.338003|17.494457|8.863849|9.371693|5.783023|7.052414|5.093633|8.171000|3.881673|0.098650|3.839104|3.185087|2.787169|2.407293|2.294928|2.462787|2.916124|4.300413|0.082878|0.083163|0.097931|0.113446|0.076139|0.089226|0.073165|0.072467|0.070525|0.060766|0.047784|0.055403|0.039876|0.038040|0.117840|0.500000| |3.413709|3.242662|2.837643|3.950600|0.117304|3.309866|5.705751|3.883691|2.426984|2.262595|1.965416|1.845158|1.931980|2.198629|3.105672|1.602014|2.920041|6.740320|7.596593|14.691312|12.527305|17.694875|8.919051|7.667101|4.971896|5.718054|4.266014|7.159677|3.268855|0.086515|3.052697|2.602557|2.286577|2.032334|1.985514|2.150730|2.490374|3.750687|0.074884|0.080406|0.100414|0.105327|0.079537|0.084338|0.073207|0.070056|0.079340|0.065848|0.051551|0.062225|0.043955|0.041259|0.123610|0.302280|0.500000| |2.476615|2.396823|2.246569|2.757091|0.077662|2.487493|4.508191|2.971749|1.946378|1.884812|1.682956|1.573704|1.609592|1.774857|2.617421|1.381476|2.536363|4.575026|4.225560|7.190989|7.697588|8.866270|17.692334|12.473994|5.668141|4.986790|7.677639|14.541898|4.730730|0.116246|4.033049|3.412036|2.832462|2.515245|2.532026|2.862008|3.420592|5.416574|0.110546|0.061247|0.070026|0.076242|0.059856|0.067749|0.059247|0.056722|0.059529|0.055377|0.045161|0.049392|0.038126|0.035830|0.091771|0.217092|0.210520|0.500000| |2.607998|2.634955|2.462853|3.182693|0.088941|2.955523|5.484376|3.462273|2.264105|2.209037|1.949902|1.800314|1.830460|2.028401|2.937502|1.550095|2.870934|5.413595|4.985662|8.014113|9.497088|8.868389|17.551510|12.403047|6.921294|5.764105|6.462876|10.515086|4.416237|0.119755|3.636387|3.016345|2.508594|2.229487|2.244958|2.538625|3.029294|4.920279|0.101258|0.063513|0.073271|0.079064|0.065638|0.074025|0.066120|0.060850|0.068047|0.065588|0.052282|0.055812|0.042845|0.039816|0.112505|0.173804|0.217599|0.301323|0.500000| |2.676224|2.745863|2.852013|3.074913|0.078340|2.891715|5.693843|3.275259|2.155966|2.187117|1.924904|1.730182|1.715459|1.882039|2.729753|1.457615|2.758685|5.429321|4.178972|6.058633|7.729026|4.973122|5.622978|12.313401|17.636420|8.936937|7.124232|8.755315|7.574411|0.246990|6.854299|4.642969|3.622314|2.953547|2.811332|3.142372|4.100336|6.583165|0.117019|0.066894|0.069913|0.084289|0.066453|0.092184|0.076712|0.070671|0.062849|0.067555|0.052798|0.050749|0.039552|0.037905|0.123575|0.130081|0.109287|0.126961|0.141327|0.500000| |2.746795|2.907224|2.911328|3.475319|0.089463|3.362353|6.768240|3.750335|2.462051|2.499829|2.174601|1.940748|1.923840|2.124229|3.032320|1.614610|3.064293|6.260723|4.933613|6.975829|9.539693|5.775143|6.916945|12.409945|17.544057|8.882924|6.280341|8.408656|5.435726|0.173454|4.469751|3.436675|2.795055|2.402071|2.361809|2.658452|3.293982|5.410107|0.104586|0.067243|0.073140|0.084362|0.070792|0.091319|0.079790|0.070517|0.071009|0.077620|0.059325|0.056960|0.044053|0.041524|0.147763|0.132861|0.129780|0.141989|0.202765|0.301993|0.500000| |3.942119|4.226323|4.416743|4.973027|0.117303|4.393191|8.734922|4.565542|2.833367|2.811446|2.358225|2.091545|2.101862|2.384529|3.269610|1.710455|3.246753|10.550662|7.125370|8.797925|12.367572|5.679329|4.957917|7.698878|8.968052|17.678694|4.205541|6.046271|3.924408|0.115809|3.904894|3.071438|2.669440|2.261213|2.127971|2.280282|2.743732|4.117063|0.077424|0.093540|0.098816|0.128280|0.095766|0.152979|0.115518|0.101912|0.086385|0.088447|0.063240|0.064282|0.045835|0.044188|0.265936|0.143431|0.127444|0.109303|0.129016|0.216768|0.218521|0.500000| |3.784421|3.639209|3.657858|4.005340|0.101410|3.371439|6.238355|3.735954|2.344444|2.282581|1.966612|1.790241|1.820630|2.048869|2.891485|1.512838|2.826613|7.694813|6.390492|8.750147|12.373571|7.079862|5.810343|9.434354|8.868307|17.465127|5.034058|7.118277|4.518674|0.122311|4.845783|3.689566|3.193306|2.629292|2.423358|2.576546|3.154176|4.623853|0.084919|0.091426|0.097239|0.129632|0.083893|0.123314|0.091891|0.089560|0.073492|0.069414|0.052688|0.056354|0.040750|0.039408|0.157381|0.209917|0.144329|0.131111|0.133103|0.218129|0.174065|0.302722|0.500000| |2.373204|2.315200|2.412666|2.440923|0.063540|2.243694|4.233551|2.638340|1.751175|1.755771|1.575628|1.444262|1.442319|1.568862|2.334981|1.249254|2.337826|4.054663|3.160967|4.925003|5.343247|3.899868|4.219650|8.125878|6.079499|5.190029|6.315205|8.580064|8.378948|0.198772|17.768596|8.816469|6.391092|4.463594|3.878910|4.154646|5.779805|7.808837|0.124837|0.061266|0.062228|0.075441|0.056827|0.077228|0.063509|0.062412|0.051834|0.053027|0.043216|0.042841|0.033891|0.032862|0.086268|0.115866|0.088932|0.109036|0.100373|0.218051|0.129857|0.127184|0.168273|0.500000| |1.880555|1.802338|1.878597|1.833575|0.048546|1.700648|3.145022|2.069694|1.397886|1.398779|1.281262|1.192222|1.192109|1.279892|1.960418|1.055316|1.959684|2.867273|2.203151|3.618000|3.430567|2.583580|2.711529|4.443420|3.150895|2.947711|3.620071|5.898506|4.417229|0.107790|6.570135|8.702781|17.745678|9.012845|5.569260|4.796095|5.473541|5.833024|0.098294|0.050196|0.049793|0.058407|0.045412|0.058315|0.049548|0.050339|0.041195|0.041549|0.035268|0.035162|0.028663|0.028044|0.059593|0.078037|0.063183|0.075057|0.067065|0.099265|0.075806|0.076357|0.092612|0.180677|0.500000| |1.524979|1.468450|1.513080|1.497214|0.040162|1.408448|2.592371|1.745523|1.195159|1.197717|1.112170|1.043698|1.042331|1.108025|1.730611|0.937411|1.733069|2.285329|1.758002|2.949996|2.682794|2.055606|2.191496|3.426115|2.370564|2.198501|2.857452|4.990096|3.353722|0.083210|4.115151|5.631849|9.060111|17.756740|8.754779|5.579794|4.923388|5.025208|0.090119|0.040974|0.040947|0.046361|0.037643|0.045911|0.040328|0.040798|0.034872|0.035252|0.030715|0.030487|0.025587|0.024996|0.047343|0.060991|0.051852|0.062326|0.055604|0.071942|0.059520|0.057418|0.066270|0.104297|0.214971|0.500000| |1.385102|1.348704|1.374458|1.398179|0.037792|1.331221|2.458890|1.658824|1.144882|1.151209|1.075812|1.011563|1.007541|1.065350|1.677738|0.912929|1.686634|2.127326|1.648554|2.780972|2.529209|1.966536|2.171591|3.357744|2.261552|2.031132|2.914215|5.342843|3.399809|0.084175|3.698485|4.961681|5.652225|8.782841|17.724279|9.104263|5.707448|5.722535|0.108619|0.036942|0.037561|0.041672|0.034796|0.041304|0.036984|0.036773|0.033073|0.033797|0.029793|0.029266|0.025066|0.024294|0.044268|0.057082|0.050156|0.062856|0.056099|0.067489|0.058151|0.052782|0.059337|0.088498|0.123828|0.215777|0.500000| 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