Version2.0 2020-04-22T18:57:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc2n1cc([nH+]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(oc5C(F)(F)F)C C39670797 RHF 6-31G(d) (6D,7F) Cc1cccc2n1cc([nH+]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(oc5C(F)(F)F)C C01[X(C25H30F3N5O3)] 192 C1 600 Cc1cc(c(o1)C(F)(F)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1[nH+]c2n(c1)c(C)ccc2 Cc1cc(c(o1)C(F)(F)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1[nH+]c2n(c1)c(C)ccc2 Cc1oc(c(c1)C(=O)N2C[C@H](C(=O)NCc3cn4c(C)cccc4[nH+]3)C5(CC[NH2+]CC5)C2)C(F)(F)F InChIKey=PDBSLBWHCKSJQE-LJQANCHMSA-P InChI=1S/C25H28F3N5O3/c1-15-4-3-5-20-31-17(12-33(15)20)11-30-22(34)19-13-32(14-24(19)6-8-29-9-7-24)23(35)18-10-16(2)36-21(18)25(26,27)28/h3-5,10,12,19,29H,6-9,11,13-14H2,1-2H3,(H,30,34)/p+2/t19-/m1/s1 InChI=1/C25H28F3N5O3/c1-15-4-3-5-20-31-17(12-33(15)20)11-30-22(34)19-13-32(14-24(19)6-8-29-9-7-24)23(35)18-10-16(2)36-21(18)25(26,27)28/h3-5,10,12,19,29H,6-9,11,13-14H2,1-2H3,(H,30,34)/p+2/t19-/m1/s1/fC25H30F3N5O3/h29-31H/q+2 Cc1cccc2n1cc([nH+]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(oc5C(F)(F)F)C C01[X(C25H30F3N5O3)] 192 C01 600 Cc1cc(c(o1)C(F)(F)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1[nH+]c2n(c1)c(C)ccc2 O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)c1cc(oc1C(F)(F)F)C)NCC1=CN2[C@H](N1)CCC=C2C Cc1oc(c(c1)C(=O)N2C[C@H](C(=O)NCC3=CN4[C@@H](CCC=C4C)N3)C5(CC[NH2]CC5)C2)C(F)(F)F InChIKey=HIKNAAOGLDWWPD-UXHICEINSA-N InChI=1S/C25H33F3N5O3/c1-15-4-3-5-20-31-17(12-33(15)20)11-30-22(34)19-13-32(14-24(19)6-8-29-9-7-24)23(35)18-10-16(2)36-21(18)25(26,27)28/h4,10,12,19-20,31H,3,5-9,11,13-14,29H2,1-2H3,(H,30,34)/t19-,20+/m1/s1 InChI=1/C25H33F3N5O3/c1-15-4-3-5-20-31-17(12-33(15)20)11-30-22(34)19-13-32(14-24(19)6-8-29-9-7-24)23(35)18-10-16(2)36-21(18)25(26,27)28/h4,10,12,19-20,31H,3,5-9,11,13-14,29H2,1-2H3,(H,30,34)/t19-,20+/m1/s1/f/h30H 4101.2414595669 -1758.9187089 1-A 21947.9948 132 468 600 |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|A|A| -26.51290 -26.50723 -26.49737 -20.79592 -20.74557 -20.69665 -15.92986 -15.88307 -15.84447 -15.80866 -15.76684 -11.67688 -11.56864 -11.56214 -11.52598 -11.52199 -11.51499 -11.51270 -11.50848 -11.49755 -11.48968 -11.47255 -11.46895 -11.46663 -11.45959 -11.45846 -11.45837 -11.45608 -11.45584 -11.45440 -11.45357 -11.44076 -11.42414 -11.41788 -11.38082 -11.36809 -1.90511 -1.80399 -1.79774 -1.64482 -1.62364 -1.61351 -1.56960 -1.56474 -1.48254 -1.45537 -1.44943 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12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10880.2821 31322.4333 38900.9267 0.99991 -0.01055 -0.00885 0.01046 0.99990 -0.00930 0.00895 0.00921 0.99992 1 0.00796 0.00277 0.00223 0.16587 0.05762 0.04639 16.21 21.78 33.75 45.55 60.60 84.67 89.18 100.50 105.99 131.88 161.04 177.90 180.48 187.43 205.20 220.62 253.92 259.36 276.49 292.56 302.45 311.88 318.74 350.76 390.75 396.37 407.14 425.87 430.12 448.62 467.73 493.82 520.32 537.89 562.43 566.63 590.39 610.62 643.37 685.27 702.98 720.38 738.18 748.62 753.81 782.57 818.99 824.84 845.70 898.17 902.72 932.54 945.84 983.09 1022.96 1044.47 1052.20 1064.58 1079.77 1123.18 1143.54 1165.07 1191.59 1209.70 1222.83 1233.53 1247.35 1253.38 1272.01 1283.05 1291.56 1295.53 1324.67 1336.13 1354.09 1358.91 1373.37 1428.73 1445.56 1448.48 1518.10 1530.96 1542.32 1549.85 1565.24 1575.85 1585.35 1605.54 1621.17 1637.95 1638.94 1646.94 1649.69 1663.86 1673.36 1691.85 1694.45 1695.78 1704.55 1760.07 1786.79 1810.75 1831.12 1855.24 1864.39 1871.67 1892.72 1898.50 1920.92 1930.37 1939.45 1948.13 1960.38 1978.75 1983.25 2003.56 2012.41 2025.32 2039.26 2049.72 2087.68 2089.80 2093.82 2101.28 2110.39 2167.85 2177.63 2196.09 2200.02 2206.99 2215.41 2227.30 2232.76 2247.80 2254.31 2257.85 2264.25 2269.55 2273.88 2283.50 2300.76 2322.60 2331.47 2332.04 2343.00 2346.75 2352.03 2362.51 2367.66 2389.37 2415.51 2424.93 2453.59 2462.13 2531.65 2533.17 2625.42 2631.00 2654.98 2678.54 2740.15 2807.59 4602.50 4620.51 4627.77 4638.96 4676.10 4687.63 4694.09 4706.13 4717.24 4720.54 4732.10 4741.87 4746.29 4754.64 4763.01 4773.64 4789.63 4799.13 4805.07 4825.27 4852.77 4899.99 4922.98 4929.75 4978.35 5042.15 5267.12 5355.04 5484.90 5586.02 0.588222 0.618668 0.619612 0.523665 -1758.330487 -1758.300041 -1758.299097 -1758.395044 3.218078D-04 MUNgauss RevisionA2.0 retrievium 22-Apr-2020 DUDE Cc1cccc2n1cc([nH+]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5cc(oc5C(F)(F)F)C C39670797 RHF 6-31G(d) (6D,10F) C1 505.230075 |X|Y|Z| 72.104232 32.852165 125.177977 66.683373 28 6 7 8 22 5 1 |36.858105| |12.709071|36.858105| |7.527312|14.073498|36.858105| |4.980135|7.896534|13.438519|36.858105| |4.412926|6.754535|7.870759|14.006743|36.858105| |5.105711|7.968353|6.998120|8.110622|13.601798|36.858105| |7.727775|13.821435|8.170459|7.019515|7.944093|14.129076|53.358707| |6.410111|7.591432|5.176494|4.651850|5.340818|8.545932|18.513808|36.858105| |4.464267|5.364439|4.240078|4.222492|5.294532|8.581953|11.766953|14.242210|36.858105| |4.135278|5.468662|4.723436|5.226212|7.642825|14.252321|11.985056|8.701845|13.822123|53.358707| |3.406166|4.319555|3.966843|4.564756|6.644533|9.096665|8.271201|6.056068|9.049896|25.902569|0.500000| |3.442378|3.809437|3.179244|3.185565|3.831923|5.221874|7.035216|7.385677|12.677066|10.281377|0.191180|36.858105| |2.943652|3.243605|2.812380|2.873533|3.441727|4.396843|5.690189|5.315609|7.676084|8.268247|0.171520|13.113501|53.358707| |2.610480|2.943966|2.659424|2.821009|3.449441|4.185521|5.056164|4.291991|5.963799|7.868798|0.186416|7.778375|19.260477|36.858105| |2.601439|3.013846|2.778808|3.041474|3.849390|4.593342|5.214821|4.221120|5.952593|8.996440|0.247660|6.917751|11.630415|15.735613|73.516695| |2.259080|2.494661|2.299726|2.430398|2.871533|3.297254|4.080420|3.344589|4.181869|5.607370|0.127924|5.000938|10.648894|12.520374|14.106636|36.858105| |2.218907|2.393518|2.181505|2.256751|2.607478|3.010864|3.866147|3.239184|3.928582|4.996177|0.108815|4.838553|10.400777|8.923345|10.454380|17.580000|0.500000| |2.280796|2.552660|2.400299|2.572957|3.033790|3.372884|4.110048|3.217333|3.861100|5.474912|0.123957|4.118857|7.740453|7.650363|11.022094|12.314508|0.242956|36.858105| |2.045033|2.304173|2.224628|2.437942|2.874146|3.055670|3.642867|2.761457|3.269115|4.846778|0.113377|3.417713|5.884753|5.862483|10.020542|8.027323|0.163774|13.097468|53.358707| |1.920196|2.151080|2.071218|2.266278|2.675694|2.857455|3.408820|2.615911|3.142142|4.618208|0.110313|3.419190|5.802197|6.025165|10.987140|7.908360|0.158552|7.869434|17.859620|36.858105| |1.941451|2.134647|2.009479|2.144692|2.506040|2.769397|3.406038|2.716042|3.296626|4.561404|0.105836|3.846857|6.987485|7.349090|11.375777|12.237067|0.242139|7.808959|11.067811|12.361554|36.858105| |1.866958|2.038726|1.912951|2.032084|2.365980|2.624130|3.249647|2.617311|3.187773|4.343706|0.100701|3.858169|6.548531|6.388153|10.839361|7.323470|0.173627|4.975438|6.964047|7.406693|12.382793|36.858105| |1.630902|1.768257|1.682589|1.789344|2.048158|2.211569|2.755153|2.174691|2.559456|3.530100|0.080713|2.968312|4.728276|4.254706|7.572105|4.816599|0.121368|3.831693|5.725715|5.987550|7.460733|12.489710|36.858105| |1.517184|1.625478|1.546973|1.629436|1.836941|1.975190|2.500422|1.973388|2.272941|3.092858|0.069155|2.610320|4.192257|3.615990|6.125981|4.360657|0.117271|3.612142|5.302030|5.066144|6.426335|7.666360|12.660197|53.358707| |1.409799|1.506540|1.442842|1.520421|1.701426|1.810186|2.295928|1.796235|2.044308|2.797108|0.062259|2.310541|3.617392|3.061789|5.296306|3.565690|0.095963|3.089204|4.594953|4.260128|4.900215|5.666280|9.175715|25.660072|0.500000| |1.516298|1.610193|1.521105|1.587133|1.780267|1.931385|2.475063|1.975620|2.266153|3.024948|0.066803|2.644424|4.247237|3.543577|5.852751|4.224916|0.119456|3.412100|4.761425|4.313694|5.728218|6.996074|9.193533|25.667432|0.328722|0.500000| |1.545663|1.660537|1.585390|1.673507|1.885090|2.017596|2.548834|1.997921|2.290234|3.138985|0.070060|2.582396|4.252886|3.717401|6.144871|4.881746|0.131044|4.291834|6.482071|5.970918|7.392399|6.474457|7.589821|17.202048|0.254880|0.254927|36.858105| |1.743473|1.880667|1.776176|1.870475|2.128756|2.320745|2.929114|2.327054|2.711456|3.678286|0.082205|3.109233|5.439403|4.918182|7.579462|7.604630|0.206379|6.177232|8.566738|7.479302|12.302726|7.612998|6.514243|10.441828|0.157538|0.193559|12.500205|36.858105| |1.995585|2.264575|2.238152|2.489705|2.901444|2.958903|3.504039|2.567443|2.943500|4.478432|0.103131|2.934132|4.764030|4.379143|7.851669|5.215418|0.118362|7.900173|19.028601|7.542927|5.175466|3.804892|3.355314|4.306305|0.079329|0.079443|3.788186|4.508085|36.858105| |2.117528|2.411468|2.397402|2.663866|3.068799|3.098434|3.693965|2.664912|2.987365|4.550524|0.101692|2.886105|4.619080|4.032210|7.080241|4.605347|0.109481|7.151339|11.643956|5.320253|4.199543|3.219749|2.828762|3.679002|0.068308|0.069545|3.175633|3.782408|15.915230|73.516695| |1.779240|2.010309|2.019393|2.262674|2.597906|2.574528|3.054635|2.211759|2.499307|3.817071|0.087851|2.489224|3.884959|3.483580|6.504773|3.954140|0.092920|5.018572|10.499042|6.335193|4.292623|3.423214|3.233201|4.145538|0.078823|0.075030|3.583129|3.873340|12.727568|14.501059|36.858105| |1.766486|2.015356|2.068257|2.363494|2.698919|2.577412|3.023030|2.136436|2.381073|3.716517|0.085295|2.310753|3.476755|3.035293|5.845394|3.228387|0.077231|3.902446|7.100962|4.649253|3.401330|2.897361|2.765064|3.490598|0.067525|0.064039|2.876098|3.041997|7.381464|11.153309|13.232384|36.858105| |1.575346|1.773672|1.821480|2.057113|2.304006|2.203307|2.629078|1.868165|2.061797|3.159132|0.071631|2.024355|3.014810|2.588393|4.947086|2.761344|0.067524|3.188116|5.598746|3.939202|2.996949|2.638032|2.621486|3.355298|0.066371|0.061239|2.739526|2.771797|5.201381|8.020010|8.536654|14.181494|36.858105| |1.491270|1.659136|1.681459|1.867611|2.085225|2.038670|2.466374|1.782458|1.973769|2.962365|0.066927|1.978859|2.991015|2.577990|4.829125|2.845141|0.070077|3.249109|5.824756|4.220768|3.206855|2.795334|2.857021|3.749447|0.074877|0.067404|3.139675|3.074322|5.182045|7.637255|8.632017|8.671112|14.150566|73.516695| |1.587788|1.766982|1.770074|1.956145|2.207496|2.198076|2.657797|1.942627|2.175927|3.248179|0.073805|2.205722|3.421582|3.012401|5.547943|3.468319|0.084080|4.105639|7.983203|5.558351|3.983416|3.277803|3.282114|4.347173|0.084749|0.077350|3.821980|3.840309|7.348325|9.731492|14.181644|8.625449|8.777445|25.341679|36.858105| |1.483923|1.626892|1.611542|1.749939|1.955909|1.981664|2.441894|1.814515|2.026359|2.945582|0.066111|2.099858|3.292722|2.864597|5.110440|3.425202|0.085564|3.894849|7.151352|5.260828|4.105230|3.370489|3.513803|4.966302|0.098149|0.087061|4.650059|4.361062|5.642454|7.892353|7.303147|5.161932|5.370027|14.205149|12.795461|36.858105| |1.367829|1.488034|1.480799|1.598572|1.760044|1.770300|2.204983|1.631278|1.793999|2.590736|0.057329|1.846032|2.850616|2.410780|4.280316|2.818716|0.072432|3.173101|5.390410|3.874272|3.244941|2.767526|2.907363|4.191465|0.084938|0.075376|3.797058|3.516540|4.335960|6.607313|5.386712|4.333248|4.786785|12.444528|8.187337|14.601463|97.533100| |1.431657|1.564755|1.543576|1.671975|1.873041|1.909625|2.356276|1.764300|1.982374|2.864625|0.064614|2.086315|3.253786|2.842089|5.122956|3.359948|0.084061|3.560675|6.355168|5.334462|4.278156|3.706474|4.153641|5.924032|0.121069|0.099609|5.424623|4.556590|4.567028|6.460287|5.575566|4.327629|4.600909|11.476267|8.147918|14.242336|20.153723|97.533100| |1.554916|1.696538|1.662120|1.787813|2.001256|2.061727|2.561271|1.926861|2.159292|3.092551|0.068983|2.264023|3.643324|3.176874|5.460305|4.025749|0.101808|4.711264|8.539512|5.843746|4.807767|3.684614|3.698953|5.428473|0.103367|0.096352|5.550832|5.545576|6.247718|8.758066|6.543791|4.472779|4.256910|9.655981|8.220766|14.351276|20.051623|20.141580|97.533100| |1.465441|1.643229|1.705556|1.926512|2.120076|1.997462|2.400958|1.692224|1.842179|2.814294|0.063036|1.796505|2.619614|2.199081|4.213304|2.292411|0.057050|2.569463|4.261287|3.066936|2.460281|2.243291|2.256436|2.892940|0.058031|0.053401|2.300616|2.295796|3.731364|6.088506|5.133120|7.314041|12.797718|14.024337|5.353656|3.972636|8.581966|8.154150|7.329797|36.858105| |17.640552|8.974239|7.213171|4.699539|3.942590|4.224957|7.719227|4.724400|3.591404|4.695341|0.081607|2.884728|3.447044|2.292784|4.081320|2.022784|0.055190|2.060257|2.548616|1.758328|1.764537|1.697060|1.500755|1.910030|0.036424|0.038896|1.431400|1.599913|1.848276|3.495817|1.666484|1.667882|1.497347|2.514196|1.494794|1.396702|2.916681|3.027384|3.276700|1.404673|0.500000| |17.555131|8.888220|5.887862|4.291543|3.973386|4.690239|9.339745|6.442492|4.482291|5.438521|0.092005|3.533077|4.200637|2.690513|4.652316|2.355140|0.065082|2.388064|2.864175|1.955682|1.996278|1.900168|1.652115|2.108969|0.039865|0.043171|1.588980|1.807001|2.045019|3.885974|1.802826|1.770184|1.575342|2.667580|1.609074|1.512727|3.138966|3.270540|3.597915|1.456025|0.301795|0.500000| |17.555313|8.889597|5.890588|4.293380|3.974775|4.691930|9.338598|6.438129|4.482655|5.441440|0.091993|3.544072|3.999365|2.575263|4.571588|2.207959|0.060510|2.180606|2.669465|1.870453|1.910557|1.866347|1.631500|2.058798|0.039069|0.042173|1.525674|1.713556|1.892659|3.521318|1.697613|1.680254|1.508304|2.550940|1.526014|1.434316|2.972655|3.138863|3.377307|1.405972|0.301798|0.300285|0.500000| |6.924341|9.084991|17.770938|8.817103|5.634307|5.020964|7.834345|4.153475|3.460845|5.081082|0.090122|2.723626|3.328774|2.319526|4.273604|2.047236|0.054395|2.139132|2.718905|1.864011|1.810558|1.727915|1.537560|1.939089|0.037102|0.038969|1.460177|1.622324|2.022971|3.855701|1.846213|1.898374|1.690676|2.779389|1.634458|1.494996|3.117281|3.220816|3.459587|1.598778|0.219031|0.151291|0.151379|0.500000| |4.069356|5.653813|8.846082|17.742069|9.026818|5.711797|6.846524|3.685967|3.440547|5.671657|0.106487|2.728000|3.422130|2.510007|4.820662|2.211714|0.057045|2.359887|3.106794|2.126287|1.989281|1.886063|1.685097|2.096882|0.040186|0.041535|1.584373|1.751276|2.371506|4.513675|2.199942|2.342777|2.056069|3.286675|1.911174|1.700587|3.520443|3.648382|3.871752|1.954467|0.112038|0.099389|0.099436|0.214211|0.500000| |3.535895|4.894660|5.584806|8.892714|17.769931|8.854510|7.710764|4.350804|4.616373|9.183362|0.187792|3.570860|4.514072|3.477717|7.143023|2.926796|0.072458|3.127006|4.177553|2.873178|2.611381|2.460033|2.144610|2.595659|0.049181|0.050837|1.959282|2.196774|3.151194|5.854221|2.870617|3.056791|2.579652|4.076184|2.409416|2.095673|4.219005|4.513402|4.764587|2.373211|0.089787|0.090608|0.090647|0.123319|0.213522|0.500000| |6.979213|6.705217|4.577026|3.930114|4.222389|5.883490|11.981263|17.869097|8.705887|8.005982|0.126924|6.293853|6.403322|3.732890|6.344662|3.029049|0.083889|2.890626|3.374875|2.358119|2.486149|2.412826|2.027493|2.537928|0.047304|0.052329|1.883083|2.180786|2.306588|4.257969|2.002387|1.927249|1.704895|2.914581|1.782408|1.684965|3.435855|3.693546|4.038386|1.553006|0.139204|0.209441|0.209571|0.107667|0.089488|0.098241|0.500000| |3.097632|3.444115|2.961994|3.025805|3.656161|4.776557|6.163052|5.868592|8.994724|9.283701|0.188549|17.611054|12.502364|7.172637|12.972765|4.645290|0.121496|3.753242|4.463043|3.432233|3.843067|4.105756|3.161728|3.673407|0.066569|0.075736|2.597296|3.053023|2.812526|4.813368|2.447005|2.289544|2.024626|3.519683|2.188671|2.082517|4.109713|4.727908|4.984496|1.806921|0.073490|0.085929|0.089920|0.071032|0.072972|0.097142|0.141132|0.500000| |3.487151|3.647347|2.992415|2.898445|3.337463|4.404564|6.418297|7.013286|9.015948|7.662960|0.139771|17.640577|12.581175|5.784528|8.978231|4.255009|0.121312|3.555125|4.032101|2.954012|3.365779|3.408946|2.699863|3.310405|0.060206|0.069541|2.395967|2.851068|2.578451|4.548044|2.213305|2.058380|1.826664|3.193912|1.991097|1.920456|3.844197|4.298226|4.670353|1.635482|0.080893|0.101265|0.102192|0.072507|0.069474|0.085368|0.191642|0.302995|0.500000| |2.842478|3.036435|2.626583|2.633596|3.058748|3.810507|5.142084|4.794858|6.131287|6.615951|0.133045|9.021252|26.061659|9.364880|10.873696|7.436918|0.240372|5.536876|5.535553|3.908573|4.835792|4.411561|3.274941|4.117517|0.072463|0.086650|3.117891|4.048682|3.317908|5.805117|2.697419|2.393339|2.092456|3.726918|2.405713|2.356380|4.632941|5.207725|5.960253|1.821511|0.068316|0.084658|0.078562|0.064355|0.064536|0.081297|0.124995|0.184436|0.232325|0.500000| |2.163519|2.373587|2.232430|2.353908|2.698516|2.969465|3.732619|2.923827|3.372017|4.644964|0.101289|3.584696|6.529238|5.693458|8.275377|8.706662|0.225187|17.600766|12.374328|6.030961|6.330363|4.257534|3.450709|4.678029|0.082427|0.091585|4.226280|6.096526|6.795547|11.911105|4.541860|3.538675|2.966822|5.471733|3.883848|3.849726|7.244801|7.739466|10.995807|2.415231|0.054698|0.063647|0.057288|0.055974|0.060416|0.076263|0.074780|0.090043|0.089571|0.139278|0.500000| |2.575304|2.942791|2.758692|2.979139|3.575879|4.028008|4.820801|3.718526|4.481810|6.546928|0.146524|4.486375|8.171076|7.563046|11.385197|8.650261|0.188732|17.616637|12.349032|6.041000|5.720604|4.175977|3.282318|4.145820|0.073967|0.080769|3.466523|4.598561|7.260135|13.579984|4.682772|3.881861|3.105959|5.419857|3.714764|3.389517|6.390953|6.947244|8.786317|2.539255|0.064093|0.075135|0.067444|0.067351|0.074862|0.101525|0.090671|0.110073|0.105538|0.157813|0.304342|0.500000| |1.737108|1.929694|1.876013|2.048946|2.376207|2.488304|3.001305|2.281192|2.672522|3.907799|0.091502|2.877399|4.703761|4.521388|8.271575|5.672431|0.126923|5.797163|12.363115|17.693623|8.673023|6.306440|6.135754|7.436687|0.132189|0.122755|6.749741|7.074361|6.753176|8.486822|6.764197|4.817904|4.318571|8.811431|6.794854|6.863992|10.533895|16.974067|16.202734|3.308456|0.044600|0.049030|0.047063|0.047393|0.054084|0.071061|0.057805|0.080824|0.070683|0.090021|0.138223|0.129765|0.500000| |1.996678|2.267797|2.194412|2.437527|2.934768|3.119459|3.629979|2.759000|3.370660|5.125941|0.127531|3.623164|5.912250|6.264071|13.266469|6.732558|0.136927|6.411017|12.310942|17.586049|8.791302|7.104619|5.711331|6.059998|0.107057|0.107161|4.735568|5.494087|6.491953|8.612891|5.854348|4.747624|3.985498|7.222263|4.984834|4.429868|7.654668|10.307917|10.261916|3.158059|0.050668|0.055847|0.054208|0.054468|0.063433|0.089224|0.068093|0.103989|0.085071|0.106067|0.135681|0.154895|0.302622|0.500000| |1.968526|2.175950|2.043592|2.191664|2.591120|2.886095|3.510104|2.817929|3.509482|4.880839|0.116455|4.251041|6.900476|6.936269|13.506196|6.558574|0.149475|4.677673|6.603650|6.894245|8.764975|17.618391|8.994964|7.618463|0.127042|0.143428|4.857769|5.510810|3.724749|5.646216|3.387111|2.958154|2.672030|4.907080|3.168988|3.124742|5.813579|7.652476|7.438278|2.290920|0.049515|0.055094|0.054882|0.050913|0.056287|0.075450|0.071083|0.131842|0.101117|0.121887|0.107932|0.115135|0.158676|0.217554|0.500000| |1.881778|2.025864|1.877258|1.963099|2.262932|2.547300|3.227112|2.657525|3.220011|4.211801|0.094900|4.066863|6.956110|6.168627|9.682662|6.832869|0.184680|4.498771|5.826193|5.448999|8.804232|17.498383|8.902433|9.419061|0.144334|0.205569|5.695018|6.825630|3.289356|5.135571|2.930925|2.522424|2.308468|4.322157|2.810691|2.915787|5.545919|7.088775|7.251973|1.995071|0.047354|0.053505|0.052644|0.047216|0.050361|0.064249|0.069113|0.119897|0.102789|0.134631|0.111191|0.107167|0.132126|0.144446|0.303601|0.500000| |1.594158|1.742009|1.676682|1.802685|2.067339|2.194788|2.701265|2.095073|2.453177|3.468437|0.080133|2.759898|4.325142|3.935873|7.311391|4.400935|0.107505|3.750902|5.978000|6.540870|6.692199|8.737809|17.625773|12.436238|0.224982|0.181068|6.942143|5.749527|3.588859|5.256976|3.615721|3.090237|2.971022|5.834607|3.753800|3.988107|7.261656|11.142666|9.020337|2.535558|0.040933|0.044646|0.044089|0.042601|0.047503|0.060942|0.053898|0.081488|0.069162|0.082431|0.093062|0.090008|0.205480|0.178709|0.212944|0.173060|0.500000| |1.576746|1.699432|1.615201|1.709352|1.944564|2.099849|2.635997|2.086055|2.437560|3.332708|0.075487|2.839369|4.364417|3.765206|6.796009|4.002892|0.103838|3.225737|4.686768|4.572855|5.448685|8.773992|17.629651|12.361677|0.222654|0.224361|5.574832|4.891337|2.850117|4.379161|2.773763|2.448462|2.346393|4.484037|2.811727|2.971011|5.705088|7.815130|6.908954|2.067471|0.040367|0.044176|0.044148|0.041129|0.044765|0.056322|0.054379|0.085649|0.072685|0.083903|0.081546|0.079238|0.128450|0.127447|0.213452|0.215593|0.301547|0.500000| |1.509138|1.632449|1.574466|1.677437|1.890978|1.994904|2.495053|1.927117|2.201676|3.077899|0.069233|2.428311|3.929376|3.472623|5.952523|4.417111|0.113481|4.154171|6.801663|6.430150|6.562858|5.655293|6.891506|12.423832|0.226167|0.181078|17.675621|8.721325|4.112182|5.950487|4.106838|3.232874|3.135570|6.621562|4.620779|5.981627|10.427872|17.451575|15.406633|2.591502|0.038981|0.042889|0.041227|0.040327|0.044411|0.055181|0.050153|0.068102|0.062085|0.078765|0.112000|0.094390|0.233971|0.140523|0.126662|0.131414|0.206837|0.142441|0.500000| |1.455971|1.549605|1.479792|1.550333|1.726344|1.842222|2.354953|1.845172|2.082271|2.828056|0.062200|2.332579|3.790061|3.186899|5.228547|4.083110|0.114898|3.710374|5.400754|4.561706|5.425202|4.890645|5.578549|12.357825|0.221713|0.225327|17.629593|8.795665|3.311032|5.096452|3.151634|2.575342|2.485060|5.072201|3.402439|4.230192|8.236220|10.787990|11.454754|2.119978|0.037614|0.041722|0.039921|0.038094|0.040893|0.049522|0.048795|0.064648|0.061126|0.078682|0.105841|0.085167|0.140221|0.104438|0.107535|0.128804|0.142710|0.126470|0.302240|0.500000| |1.751789|1.865788|1.743546|1.811598|2.045820|2.257882|2.902520|2.345390|2.715263|3.576832|0.078428|3.188381|5.629307|4.778201|7.074631|7.108917|0.230446|5.413825|6.750079|5.487549|8.791722|6.813247|5.685197|9.365189|0.143744|0.203048|8.921175|17.517373|3.749626|5.882289|3.220203|2.624513|2.403319|4.658243|3.165965|3.531787|6.719597|8.224217|9.795744|2.034827|0.044543|0.050757|0.048067|0.044334|0.046903|0.057849|0.061882|0.086127|0.083124|0.121351|0.154697|0.117222|0.141153|0.123087|0.139309|0.200025|0.132305|0.127717|0.173236|0.218088|0.500000| |1.738952|1.876985|1.782573|1.878908|2.126132|2.296061|2.900837|2.278133|2.616753|3.581071|0.079389|2.912373|5.056693|4.480723|6.936123|6.908300|0.188279|6.857288|9.607136|7.017920|8.726095|5.513399|4.890704|7.629026|0.127287|0.142855|9.026695|17.603903|5.149880|7.703080|4.274379|3.246308|2.931904|5.839745|4.234655|4.931285|8.899164|10.754496|15.715800|2.393627|0.044497|0.050308|0.047057|0.045349|0.049046|0.060958|0.059330|0.077928|0.074419|0.105991|0.209324|0.137367|0.189088|0.140534|0.122900|0.139332|0.128973|0.107757|0.214476|0.213162|0.303790|0.500000| |1.895269|2.193810|2.284062|2.664523|3.061672|2.844652|3.282333|2.273664|2.519552|4.024237|0.092282|2.384669|3.529588|3.044930|5.943923|3.124280|0.074865|3.781808|6.472808|4.167462|3.162139|2.730629|2.554309|3.194538|0.061556|0.059426|2.586163|2.782836|6.533474|11.062165|8.485814|17.817999|8.806621|10.479007|5.873799|4.047721|7.897236|7.916699|8.331994|6.297898|0.049775|0.052465|0.049734|0.057992|0.073991|0.098492|0.056484|0.065378|0.058734|0.067002|0.094357|0.109527|0.113956|0.122174|0.078756|0.066871|0.077944|0.063660|0.078751|0.064664|0.067998|0.081743|0.500000| |1.407048|1.572310|1.625846|1.829711|2.015583|1.910266|2.301200|1.630829|1.780583|2.708197|0.060828|1.751042|2.540810|2.133601|4.113761|2.211797|0.055131|2.417130|3.990269|2.984032|2.413672|2.249721|2.305878|2.935896|0.059504|0.053955|2.295868|2.249135|3.349137|5.375148|4.474968|5.793656|8.948328|12.446202|4.841818|3.787389|8.158228|8.211883|6.928967|17.569852|0.037442|0.038723|0.037736|0.042355|0.051448|0.062562|0.041658|0.049389|0.044342|0.048948|0.062844|0.065803|0.090574|0.086378|0.064102|0.055421|0.072812|0.059158|0.072194|0.058645|0.055424|0.064169|0.140602|0.500000| |1.383058|1.537790|1.594891|1.783054|1.936972|1.831776|2.229241|1.574817|1.699603|2.566077|0.056812|1.660524|2.423178|2.010758|3.792511|2.115104|0.053331|2.374517|3.867498|2.749359|2.258309|2.055383|2.076802|2.713016|0.054715|0.050363|2.171875|2.155221|3.373989|5.631774|4.484943|5.805628|8.965807|12.500454|4.862517|3.815658|8.727980|7.698561|7.057559|17.575433|0.036977|0.038304|0.036824|0.041813|0.050342|0.059435|0.040432|0.046158|0.042336|0.047244|0.063159|0.065003|0.082566|0.076982|0.057657|0.051308|0.064161|0.053020|0.067736|0.056407|0.053434|0.062959|0.141223|0.301567|0.500000| 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