Version2.0 2020-07-20T09:20:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(CC)c1cc(nc(n1)c2ccncc2)[C@H]3C[NH+]4CC[C@@H]3C[C@@H]4CNC(=O)Nc5ccccc5 C43527871 RHF 6-31G(d) (6D,7F) CCC(CC)c1cc(nc(n1)c2ccncc2)[C@H]3C[NH+]4CC[C@@H]3C[C@@H]4CNC(=O)Nc5ccccc5 C01[X(C29H37N6O1)] 213 C1 614 CCC(c1cc(nc(n1)c1ccncc1)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)Nc1ccccc1)CC CCC(c1cc(nc(n1)c1ccncc1)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)Nc1ccccc1)CC CCC(CC)c1cc(nc(n1)c2ccncc2)[C@H]3C[NH+]4CC[C@@H]3C[C@@H]4CNC(=O)Nc5ccccc5 InChIKey=LZOSSEMXBXKIIF-GPXOXTDOSA-O InChI=1S/C29H36N6O/c1-3-20(4-2)26-17-27(34-28(33-26)21-10-13-30-14-11-21)25-19-35-15-12-22(25)16-24(35)18-31-29(36)32-23-8-6-5-7-9-23/h5-11,13-14,17,20,22,24-25H,3-4,12,15-16,18-19H2,1-2H3,(H2,31,32,36)/p+1/t22-,24-,25+/m1/s1 InChI=1/C29H36N6O/c1-3-20(4-2)26-17-27(34-28(33-26)21-10-13-30-14-11-21)25-19-35-15-12-22(25)16-24(35)18-31-29(36)32-23-8-6-5-7-9-23/h5-11,13-14,17,20,22,24-25H,3-4,12,15-16,18-19H2,1-2H3,(H2,31,32,36)/p+1/t22-,24-,25+/m1/s1/fC29H37N6O/h31-32,35H/q+1 CCC(CC)c1cc(nc(n1)c2ccncc2)[C@H]3C[NH+]4CC[C@@H]3C[C@@H]4CNC(=O)Nc5ccccc5 C01[X(C29H37N6O1)] 213 C01 614 CCC(c1cc(nc(n1)c1ccncc1)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)Nc1ccccc1)CC CCC([C]1[CH][C]([N][C]([N]1)[C]1[CH][CH][N][CH][CH]1)[C@H]1C[N@H]2CC[C@@H]1C[C@@H]2CN[C]([O])N[C]1[CH][CH][CH][CH][CH]1)CC CCC(CC)[C]1[CH][C]([N][C]([N]1)[C]2[CH][CH][N][CH][CH]2)[C@H]3C[N@H]4CC[C@@H]3C[C@@H]4CN[C]([O])N[C]5[CH][CH][CH][CH][CH]5 InChIKey=ZZXHJFTUMNIXKE-GPXOXTDOSA-N InChI=1S/C29H37N6O/c1-3-20(4-2)26-17-27(34-28(33-26)21-10-13-30-14-11-21)25-19-35-15-12-22(25)16-24(35)18-31-29(36)32-23-8-6-5-7-9-23/h5-11,13-14,17,20,22,24-25,35H,3-4,12,15-16,18-19H2,1-2H3,(H2,31,32,36)/t22-,24-,25+/m1/s1 InChI=1/C29H37N6O/c1-3-20(4-2)26-17-27(34-28(33-26)21-10-13-30-14-11-21)25-19-35-15-12-22(25)16-24(35)18-31-29(36)32-23-8-6-5-7-9-23/h5-11,13-14,17,20,22,24-25,35H,3-4,12,15-16,18-19H2,1-2H3,(H2,31,32,36)/t22-,24-,25+/m1/s1/f/h31-32H 3725.7384759528 -1521.1647851 1-A 27229.7882 130 484 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64978 -15.80366 -15.71744 -15.70927 -15.66447 -15.65305 -15.62910 -11.50786 -11.42831 -11.41439 -11.41376 -11.41092 -11.41060 -11.40141 -11.38724 -11.37615 -11.37193 -11.36900 -11.36682 -11.35407 -11.33361 -11.33227 -11.33202 -11.33109 -11.31830 -11.31452 -11.31318 -11.31238 -11.31175 -11.30898 -11.30812 -11.30371 -11.30102 -11.29924 -11.28247 -11.28061 -1.53525 -1.46549 -1.42038 -1.38314 -1.34851 -1.33077 -1.30487 -1.24703 -1.23257 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11603.6324 40464.8598 46147.1255 0.99991 -0.01246 -0.00489 0.01245 0.99992 -0.00063 0.00490 0.00057 0.99999 1 0.00746 0.00214 0.00188 0.15553 0.04460 0.03911 12.37 25.30 26.51 29.30 36.35 47.49 53.21 79.40 86.53 93.24 121.39 134.76 148.64 158.29 164.36 180.06 206.99 238.26 275.73 296.53 325.44 335.61 356.46 381.10 384.60 404.33 408.09 435.66 440.71 460.14 465.35 506.02 528.56 551.09 571.12 603.13 614.91 619.24 635.82 658.10 682.58 704.54 751.75 783.95 798.37 813.34 819.57 864.74 895.77 947.44 960.63 974.37 1006.52 1016.85 1051.80 1058.66 1098.15 1099.87 1110.47 1126.12 1189.11 1199.85 1208.14 1230.30 1245.23 1250.87 1265.79 1286.34 1295.26 1309.65 1328.91 1331.91 1361.94 1363.91 1385.07 1406.95 1421.16 1429.11 1432.93 1459.88 1479.05 1485.54 1492.17 1527.42 1562.30 1571.56 1573.12 1576.23 1584.63 1586.93 1590.48 1591.31 1605.33 1610.81 1625.63 1630.68 1632.55 1634.86 1638.83 1663.89 1671.00 1677.06 1694.54 1701.28 1706.62 1729.52 1751.89 1758.32 1759.59 1778.60 1785.78 1793.88 1803.60 1822.26 1859.39 1870.43 1878.97 1884.57 1915.40 1918.39 1942.79 1960.71 1985.16 1999.72 2007.66 2009.27 2027.71 2053.26 2071.91 2079.75 2089.99 2096.69 2101.37 2116.12 2119.21 2126.43 2134.29 2166.01 2167.45 2174.72 2184.73 2188.72 2201.25 2220.67 2243.69 2250.48 2252.96 2258.13 2263.00 2274.33 2310.27 2320.97 2336.01 2340.85 2350.17 2356.47 2363.84 2366.10 2366.96 2374.46 2374.60 2380.07 2382.96 2399.99 2402.44 2418.30 2423.44 2425.43 2506.40 2532.99 2553.44 2591.63 2594.72 2599.73 2609.61 2715.54 4592.13 4602.98 4616.13 4621.29 4638.81 4639.77 4656.58 4672.04 4677.54 4684.64 4685.55 4702.87 4710.63 4712.43 4715.09 4722.80 4726.78 4731.12 4735.16 4744.74 4752.55 4778.90 4826.53 4834.25 4839.89 4852.54 4854.46 4865.15 4870.95 4889.59 4894.46 4914.78 4925.56 4941.23 5052.58 5553.45 5571.38 0.680018 0.710898 0.711843 0.611765 -1520.484767 -1520.453887 -1520.452942 -1520.553020 3.356633D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCC(CC)c1cc(nc(n1)c2ccncc2)[C@H]3C[NH+]4CC[C@@H]3C[C@@H]4CNC(=O)Nc5ccccc5 C43527871 RHF 6-31G(d) (6D,10F) C1 485.302885 |X|Y|Z| 43.336965 69.847809 143.083238 75.660060 30 6 7 24 6 |36.858105| |12.453670|36.858105| |7.399528|12.369859|36.858105| |4.824527|7.403141|12.332609|36.858105| |4.187335|5.987200|7.383033|12.454280|36.858105| |6.203064|7.512216|12.566414|7.619254|4.912182|36.858105| |5.168348|6.088290|7.460925|6.043486|4.105318|13.652434|36.858105| |4.060522|4.320694|5.032947|4.343217|3.227187|8.051757|13.832247|36.858105| |3.724918|3.775658|4.505807|3.834992|2.958927|7.020953|8.071638|14.384097|53.358707| |4.098166|4.103865|5.222111|4.208366|3.247242|8.381042|7.171168|8.426082|19.609071|36.858105| |5.158030|5.389242|7.857198|5.567495|4.087649|14.426259|8.091561|7.084990|11.059569|14.410735|53.358707| |3.355624|3.254303|3.951239|3.339476|2.757084|5.257008|4.592917|5.257696|10.752302|12.774527|10.789470|36.858105| |3.261914|3.141147|3.823459|3.243454|2.783592|4.617013|3.812669|4.000002|7.052319|7.611155|9.240440|13.731729|36.858105| |2.691996|2.575593|3.006689|2.646933|2.354308|3.456947|3.004334|3.182968|5.407900|5.064381|6.187892|7.992554|13.751794|36.858105| |2.383213|2.279638|2.601704|2.330202|2.073943|3.017465|2.748711|3.011544|5.151864|4.457029|5.169876|6.845350|7.987880|14.437787|53.358707| |2.422418|2.324210|2.645340|2.367862|2.066510|3.179052|2.997047|3.438983|6.151200|5.057063|5.416175|7.988564|7.054456|8.435423|19.642004|36.858105| |2.793007|2.695782|3.124454|2.746177|2.320664|3.983391|3.795754|4.581420|9.149903|7.582078|7.050709|13.716413|8.013420|7.062078|10.884262|13.774955|36.858105| |3.288430|3.470579|3.758416|3.476008|2.724996|5.044028|7.571002|12.536723|10.643266|5.221730|6.162458|3.932243|3.122230|2.636368|3.515777|2.972804|3.771928|36.858105| |3.440549|3.671839|3.780845|3.514740|2.774998|4.809990|7.370358|9.029936|7.925903|4.378379|5.559228|3.365198|2.782578|2.369870|3.133303|2.589233|3.181393|17.567427|0.500000| |2.901961|2.900326|3.054131|2.779293|2.276847|3.926745|5.076359|7.479466|9.069325|4.594601|5.185259|3.794761|2.989897|2.605156|3.590604|3.120647|3.925392|12.339239|0.245458|36.858105| |2.380190|2.414466|2.550712|2.413806|2.023862|3.132216|3.858709|5.126210|6.558182|3.616341|4.177199|3.177565|2.582003|2.321434|3.260120|2.826278|3.400395|7.716951|0.173876|12.739936|53.358707| |2.208512|2.202932|2.297741|2.162486|1.843925|2.767628|3.294952|4.199921|5.594936|3.221130|3.743444|2.933906|2.418181|2.215294|3.153246|2.736715|3.209160|5.659097|0.136895|9.118420|25.472131|0.500000| |2.233757|2.294839|2.503639|2.412022|2.023658|3.083634|3.664709|4.864679|6.740869|3.761809|4.243182|3.412130|2.746374|2.489624|3.545127|3.125351|3.765431|6.352980|0.137092|7.781070|17.281745|0.259121|36.858105| |2.422520|2.571054|2.902173|2.866323|2.343115|3.649931|4.440845|5.980720|7.925582|4.347206|4.939743|3.741375|2.994917|2.638355|3.650792|3.157814|3.897310|7.523814|0.153786|6.715613|10.474709|0.158322|12.373293|36.858105| |2.720475|2.955072|3.279422|3.259508|2.600583|4.145254|5.587216|7.440103|7.945514|4.311353|5.187279|3.465542|2.827425|2.442824|3.289448|2.765193|3.402319|12.280448|0.247068|7.616984|10.269115|0.149398|7.648271|12.423539|36.858105| |2.794937|3.151041|3.587383|3.735932|2.919429|4.461594|6.007674|7.023722|7.346621|4.264201|5.391726|3.380311|2.823001|2.418019|3.198471|2.632206|3.204173|8.772207|0.208456|5.528514|7.188709|0.114442|5.536808|8.810380|17.605846|0.500000| |2.373263|2.547895|2.705679|2.716354|2.257277|3.215957|4.121888|4.922913|5.567446|3.242022|4.024034|2.743798|2.317245|2.058412|2.800529|2.326453|2.749013|7.607883|0.202925|6.364714|10.578224|0.159488|6.777804|7.675908|12.393708|0.244710|36.858105| |2.270360|2.350456|2.440889|2.370902|2.004162|2.898526|3.616320|4.428071|5.279291|3.061022|3.723239|2.662301|2.238431|2.016239|2.787878|2.343610|2.748876|6.786798|0.180523|7.772503|17.191167|0.257815|7.597442|6.294568|7.591120|0.153449|12.357695|36.858105| |2.386299|2.446602|2.476836|2.374440|2.013258|2.914322|3.667587|4.364614|5.071282|2.977442|3.684501|2.567098|2.175780|1.953774|2.681860|2.234320|2.613534|6.624034|0.199015|7.667174|12.538336|0.218051|5.636437|4.941568|6.239495|0.135156|8.783209|17.619792|0.500000| |1.922472|1.980684|2.045552|2.011011|1.743397|2.356986|2.808085|3.284046|4.106541|2.496634|3.073679|2.254335|1.939662|1.785689|2.494022|2.078218|2.360632|4.405381|0.119273|4.994966|10.202177|0.204715|5.938873|4.766322|5.013602|0.113535|7.399785|12.432172|0.249523|36.858105| |1.820117|1.841079|1.869736|1.814535|1.593086|2.129510|2.489901|2.866029|3.647546|2.260402|2.796440|2.073654|1.802125|1.676153|2.352862|1.952509|2.185202|3.674683|0.101702|4.372271|8.069957|0.188187|4.599640|3.672752|3.814577|0.089377|4.944510|7.586397|0.204512|13.122406|53.358707| |1.771468|1.764722|1.796407|1.722279|1.517118|2.054720|2.360923|2.746572|3.615763|2.252549|2.750506|2.110299|1.830463|1.720940|2.447778|2.048718|2.271115|3.403264|0.091538|4.277907|7.778275|0.206814|4.560279|3.464952|3.415265|0.080182|4.040244|5.869290|0.157638|7.758322|18.955147|36.858105| |1.852172|1.836950|1.892686|1.800463|1.574378|2.199748|2.521806|3.015177|4.076633|2.503643|2.990863|2.368061|2.023365|1.904939|2.740125|2.335147|2.605901|3.722210|0.096073|4.964169|9.557240|0.296701|5.669643|3.955604|3.703698|0.085241|4.151911|6.013194|0.152579|6.901132|11.557881|15.648692|73.516695| |1.623385|1.605429|1.618731|1.551110|1.383705|1.822539|2.058105|2.338146|3.098241|1.977600|2.444970|1.875449|1.653080|1.569613|2.234024|1.847756|2.011886|2.789676|0.076291|3.384477|5.603622|0.139573|3.472315|2.786656|2.762969|0.066887|3.182675|4.222775|0.118547|5.243376|11.281833|14.177710|14.985443|53.358707| |1.548929|1.514600|1.526159|1.452062|1.303236|1.712561|1.901252|2.151414|2.910966|1.885589|2.326395|1.821255|1.616240|1.552623|2.229304|1.841906|1.974562|2.484791|0.067341|3.019589|4.769704|0.118215|3.069129|2.486125|2.421101|0.059294|2.669328|3.383880|0.094878|3.884517|7.090720|7.738976|11.878862|18.152001|36.858105| |1.490513|1.457789|1.484366|1.413732|1.270451|1.669871|1.833960|2.086293|2.881311|1.878068|2.298173|1.846094|1.640082|1.592912|2.315706|1.923331|2.034863|2.368752|0.062959|2.870556|4.555509|0.112505|3.091356|2.478418|2.336304|0.057396|2.515793|3.106883|0.084261|3.519347|5.891973|6.169202|11.206247|10.575834|13.749922|36.858105| |1.408399|1.367327|1.389019|1.318230|1.193111|1.551515|1.679816|1.891277|2.639092|1.749738|2.150561|1.744141|1.567196|1.539206|2.248986|1.853563|1.927153|2.094318|0.055760|2.498250|3.803389|0.091087|2.629883|2.169405|2.045512|0.050942|2.155060|2.576621|0.070542|2.814978|4.509041|4.308456|7.964207|6.989945|7.967168|13.760697|36.858105| |1.378220|1.329114|1.336781|1.264102|1.150060|1.481244|1.597489|1.777170|2.463649|1.647267|2.044737|1.637091|1.482919|1.455659|2.111869|1.722325|1.787785|1.952637|0.052683|2.305578|3.407817|0.080272|2.315942|1.955103|1.880555|0.047203|1.978560|2.345125|0.065648|2.520294|4.056243|3.723524|6.625542|6.179439|6.881041|7.918349|13.745653|36.858105| |1.423070|1.371040|1.366439|1.290860|1.173852|1.510047|1.640618|1.816010|2.480697|1.651366|2.063407|1.618677|1.464332|1.423839|2.044396|1.661995|1.745306|2.015317|0.055149|2.379266|3.493731|0.082237|2.306270|1.958700|1.923696|0.048237|2.050809|2.457621|0.070300|2.645772|4.393203|3.999724|6.755925|7.026633|7.946654|6.862247|7.951143|13.758554|36.858105| |1.510274|1.464307|1.458749|1.381613|1.248502|1.620723|1.785908|1.989670|2.682765|1.760454|2.195698|1.701458|1.525122|1.467686|2.096446|1.713785|1.826558|2.259962|0.062192|2.699824|4.056761|0.097187|2.601829|2.179306|2.162053|0.053662|2.356620|2.908817|0.084014|3.207149|5.647661|5.363183|8.438309|10.732160|13.751531|7.922238|6.887499|7.939064|13.754870|36.858105| |17.562920|8.806211|5.432330|4.027607|3.687524|4.679396|4.235947|3.469048|4.313193|3.370451|5.450207|2.851354|2.776899|2.363269|2.895968|2.162729|2.451813|2.962465|0.087777|2.667172|3.021276|0.057779|2.060503|2.201511|2.477287|0.070248|2.220963|2.147228|0.063375|1.838657|2.395678|1.710625|3.148939|2.153049|1.511378|1.445690|1.369738|1.350166|1.402254|1.486423|0.500000| |17.553526|8.778102|6.761542|4.497322|4.086835|5.593720|4.412622|3.627999|4.768393|4.029638|7.005870|3.447527|3.503562|2.893381|3.415468|2.495096|2.829758|2.932382|0.083008|2.642055|2.994171|0.057127|2.100275|2.270158|2.481290|0.070747|2.162156|2.076440|0.059925|1.780362|2.300428|1.659257|3.098911|2.079308|1.469609|1.425545|1.356265|1.327066|1.361482|1.433727|0.301881|0.500000| |17.549768|8.724944|6.613252|4.401059|3.656380|6.798189|5.949035|4.797971|5.980167|4.753582|7.848348|3.775477|3.529543|2.876417|3.500309|2.664410|3.140396|3.789737|0.109517|3.379549|3.649091|0.068989|2.480237|2.663920|3.000318|0.083858|2.587422|2.511619|0.073795|2.094631|2.703837|1.943747|3.640543|2.409129|1.688989|1.622627|1.528742|1.493662|1.543800|1.643475|0.302203|0.301978|0.500000| |8.911116|17.579410|8.894254|6.929913|6.825428|5.516824|4.624715|3.503223|4.274618|3.413903|5.912539|2.833866|2.809241|2.358300|2.842449|2.101281|2.384174|2.931010|0.085950|2.497648|2.905415|0.054553|2.045209|2.279371|2.584239|0.076903|2.275413|2.099309|0.060494|1.801765|2.289784|1.611903|2.965030|2.012201|1.398541|1.347848|1.269528|1.237574|1.275862|1.357162|0.215946|0.211123|0.173144|0.500000| |8.831023|17.510582|8.791241|6.749783|5.326952|6.771918|6.579537|4.548591|5.112252|3.849342|6.460703|3.024588|2.838632|2.359776|2.901818|2.207476|2.571996|3.799006|0.116711|3.095295|3.496530|0.064631|2.397643|2.691120|3.202386|0.095313|2.795662|2.554795|0.074837|2.131162|2.685783|1.868129|3.428970|2.304577|1.582097|1.510085|1.406870|1.367992|1.420159|1.528705|0.212182|0.172745|0.209699|0.305090|0.500000| |6.881387|8.888465|17.570611|8.885976|6.942107|9.134510|5.627708|4.281990|5.630456|5.097881|10.734449|4.110306|4.237523|3.298322|3.769628|2.741875|3.178419|3.255381|0.089108|2.757520|3.176024|0.059132|2.320729|2.651986|2.886125|0.086306|2.406157|2.205600|0.061800|1.877360|2.354776|1.679990|3.159251|2.074282|1.450222|1.420194|1.338913|1.289944|1.311687|1.389528|0.141219|0.205662|0.166832|0.213582|0.173751|0.500000| |4.491806|6.843233|8.786885|17.509094|8.849413|6.762980|6.422569|4.515168|5.132604|3.893735|6.556853|3.067207|2.894642|2.401132|2.941265|2.230266|2.595482|3.765300|0.109206|2.922596|3.468079|0.062857|2.512716|3.010044|3.567867|0.116458|3.001556|2.563185|0.071696|2.156652|2.627305|1.808004|3.333969|2.207356|1.503895|1.454147|1.347266|1.291670|1.325785|1.428775|0.108132|0.111082|0.116667|0.174624|0.203955|0.173873|0.500000| |4.036614|5.461056|8.855751|17.530162|8.909909|7.311656|5.815791|4.449450|5.531639|4.531480|8.027699|3.619235|3.515717|2.847627|3.397845|2.536246|2.951925|3.524857|0.095597|2.814095|3.369113|0.061297|2.540004|3.090931|3.424125|0.110925|2.788082|2.405835|0.065725|2.045319|2.488196|1.739832|3.256838|2.122784|1.460585|1.432316|1.334166|1.271401|1.290676|1.380273|0.094433|0.107873|0.106842|0.140530|0.140791|0.211009|0.303824|0.500000| |4.082027|5.394184|6.775567|8.776872|17.548671|4.618441|3.710993|3.010073|3.889760|3.230457|5.590979|2.821693|2.944040|2.496217|2.945536|2.119695|2.352087|2.520737|0.070236|2.151964|2.606878|0.048828|1.928953|2.211841|2.396865|0.073555|2.078592|1.871821|0.052072|1.639063|2.051195|1.448191|2.683790|1.804582|1.257646|1.232265|1.163481|1.122189|1.140874|1.206679|0.099079|0.117001|0.098524|0.171017|0.126508|0.208743|0.172906|0.210142|0.500000| |4.426329|6.467043|6.554918|8.717344|17.578463|4.401768|3.817243|3.007951|3.713900|2.944144|4.948606|2.512853|2.525131|2.161074|2.614509|1.918232|2.143864|2.592466|0.074790|2.187866|2.643377|0.049432|1.912502|2.178804|2.441736|0.075149|2.162204|1.939549|0.054751|1.692991|2.123335|1.483120|2.718494|1.850977|1.281119|1.242430|1.168384|1.132095|1.160757|1.234530|0.112321|0.117652|0.103738|0.233942|0.162416|0.167479|0.211288|0.173115|0.301496|0.500000| |3.406297|4.566798|5.429748|8.824380|17.562674|4.106471|3.623379|2.948593|3.688229|2.916179|4.792827|2.518702|2.533053|2.180536|2.645338|1.939837|2.160481|2.560548|0.072279|2.144216|2.643357|0.049148|1.959259|2.280827|2.518633|0.079428|2.210485|1.942650|0.053823|1.706573|2.112740|1.471744|2.705768|1.828344|1.261964|1.231927|1.155533|1.111602|1.133250|1.206091|0.085527|0.092155|0.085181|0.139688|0.119991|0.142225|0.211771|0.217690|0.302028|0.302831|0.500000| |5.031448|6.332267|6.820575|6.111304|4.218887|8.826740|17.756860|8.892436|7.781157|5.108233|7.787455|3.649078|3.151934|2.574783|3.239799|2.569211|3.140265|6.959377|0.221468|4.649550|4.993061|0.087296|3.391360|4.054511|5.403261|0.166788|4.256889|3.647623|0.105219|2.838275|3.421770|2.337237|4.348546|2.784739|1.871616|1.785724|1.630264|1.558172|1.613610|1.766436|0.119920|0.115109|0.153478|0.135448|0.218218|0.139087|0.204090|0.152906|0.101811|0.112543|0.104495|0.500000| |3.632113|3.526299|4.429825|3.669400|3.169811|5.102846|3.940675|3.886090|6.434302|6.995932|10.418026|8.887173|17.786013|8.904067|7.758807|5.052216|5.668915|2.998589|0.075809|2.791789|3.273989|0.062284|2.521078|2.788123|2.713797|0.076764|2.235094|2.132424|0.058039|1.847296|2.335002|1.725416|3.349913|2.129174|1.522668|1.533374|1.464356|1.393934|1.385076|1.444771|0.084296|0.111646|0.106204|0.088102|0.085918|0.144753|0.088063|0.110262|0.095437|0.079032|0.078722|0.090975|0.500000| |2.546644|2.436862|2.815699|2.506651|2.288740|3.101792|2.679196|2.764324|4.502611|4.109421|5.353711|5.664437|8.914896|17.717926|12.723705|5.921449|5.049919|2.324948|0.059008|2.283449|2.798707|0.054727|2.188055|2.317466|2.173343|0.060289|1.859658|1.816830|0.049120|1.625115|2.085831|1.568969|3.058407|1.963778|1.430139|1.465371|1.423387|1.353430|1.324734|1.359815|0.062659|0.077184|0.074038|0.063078|0.061595|0.087275|0.062764|0.074509|0.068400|0.058499|0.059033|0.064981|0.214327|0.500000| |2.168501|2.083346|2.328911|2.115568|1.863853|2.757622|2.669451|3.080174|5.318921|4.101445|4.504838|5.660426|5.045465|5.921613|12.721605|17.710700|8.915513|2.777023|0.067456|2.997131|3.808224|0.076736|3.121274|3.041951|2.622071|0.068545|2.253918|2.307655|0.060803|2.081675|2.684322|2.098432|4.289763|2.587351|1.915604|2.030302|1.971082|1.817033|1.732235|1.774038|0.054563|0.061536|0.066057|0.052673|0.055596|0.066323|0.056042|0.062587|0.052790|0.048395|0.048997|0.064762|0.109210|0.129993|0.500000| |2.698734|2.620513|2.985844|2.655516|2.228588|3.851356|3.904630|5.024219|10.244900|6.947285|6.409934|8.870854|5.666526|5.055957|7.768902|8.927957|17.780908|4.331197|0.098298|4.765793|5.610769|0.107937|4.663889|4.625218|3.881161|0.097823|3.108566|3.173980|0.082734|2.691115|3.371286|2.597951|5.422326|3.080563|2.211465|2.285720|2.138291|1.961655|1.912812|2.019077|0.066494|0.074258|0.085154|0.064084|0.070960|0.082033|0.071276|0.078763|0.061767|0.057577|0.057983|0.090274|0.123941|0.109283|0.214806|0.500000| |2.939491|2.870603|2.907474|2.615995|2.176415|3.618876|4.591638|6.047283|7.239490|3.991438|4.702867|3.358673|2.730331|2.403431|3.300791|2.816248|3.436128|8.676485|0.227235|17.627858|12.378636|0.225946|5.663378|4.915685|5.708810|0.125077|5.396129|6.996032|0.227846|4.772865|6.142211|4.441415|8.802471|4.880478|3.197569|2.947997|2.570123|2.416574|2.546374|2.920175|0.076545|0.073566|0.095952|0.068817|0.085988|0.072969|0.076655|0.072055|0.057123|0.058983|0.056691|0.121688|0.071658|0.059223|0.075533|0.111980|0.500000| |2.920676|2.858950|3.063210|2.734973|2.248071|4.008787|4.882384|7.352797|10.908703|5.321033|5.615145|4.524684|3.416877|2.971254|4.158387|3.740492|4.897778|8.730138|0.177472|17.681866|12.411343|0.216132|7.427871|6.306171|6.120978|0.132761|4.915415|5.649840|0.150701|4.135638|5.097406|3.858206|8.249329|4.274406|2.911761|2.848453|2.526048|2.320995|2.353108|2.612626|0.073688|0.075307|0.095352|0.068366|0.082437|0.078499|0.077886|0.077741|0.059893|0.059594|0.058500|0.117869|0.086223|0.070958|0.099504|0.176094|0.301190|0.500000| |1.991432|2.050406|2.217371|2.169117|1.852753|2.650290|3.083728|3.856945|5.284138|3.122114|3.630172|2.904162|2.413850|2.231616|3.194541|2.768619|3.201110|4.859138|0.113267|5.655153|12.383833|0.225090|17.670201|8.658225|6.021198|0.130813|6.217734|7.093433|0.143504|6.714269|6.819217|4.951458|10.860034|5.057111|3.229146|3.297573|2.752054|2.381775|2.355888|2.673659|0.051549|0.052242|0.060629|0.051436|0.059530|0.057445|0.062898|0.063377|0.049102|0.048810|0.050297|0.081157|0.061976|0.055203|0.078109|0.106521|0.127195|0.148340|0.500000| |2.221054|2.242505|2.455390|2.325750|1.962822|3.038925|3.490076|4.644016|7.028382|3.967848|4.332921|3.767945|2.977158|2.732928|3.988552|3.638810|4.411311|5.465282|0.119128|7.088472|12.451079|0.230983|17.644768|8.678078|5.777383|0.126014|4.965977|5.598944|0.127823|4.686925|5.434033|4.222144|9.727657|4.525538|3.064998|3.177032|2.750446|2.403540|2.353218|2.607387|0.056706|0.058686|0.068890|0.055519|0.064088|0.064223|0.066103|0.068185|0.052589|0.051451|0.052480|0.087603|0.074203|0.065846|0.102953|0.160748|0.148017|0.224365|0.303884|0.500000| |2.186462|2.343643|2.645852|2.691823|2.241441|3.203250|3.760981|4.641501|6.164001|3.664105|4.324720|3.263009|2.710668|2.432365|3.369459|2.857677|3.388842|5.484423|0.123968|4.929626|7.933862|0.130160|8.811753|17.586274|8.828375|0.215555|6.891914|5.392149|0.118166|4.533539|4.700662|3.218855|6.378256|3.576998|2.341478|2.351633|2.062711|1.853318|1.848457|2.049172|0.055596|0.057316|0.065597|0.058677|0.067981|0.067696|0.078666|0.081436|0.058772|0.057723|0.061605|0.098078|0.070718|0.060160|0.077243|0.107836|0.108683|0.129537|0.226139|0.185247|0.500000| |2.565176|2.714423|3.156485|3.074690|2.484165|4.096555|4.806313|6.677339|10.033485|5.397242|5.804034|4.635642|3.566464|3.083906|4.256595|3.749867|4.833940|6.938054|0.140336|6.135360|8.268150|0.134506|8.793586|17.643447|8.788996|0.208219|5.544220|4.828649|0.113529|3.809243|4.246838|3.032832|6.189702|3.412981|2.295640|2.313382|2.064622|1.870616|1.860815|2.038884|0.063766|0.067536|0.078616|0.066454|0.077345|0.081075|0.087471|0.093999|0.065861|0.063355|0.066654|0.115402|0.090597|0.073852|0.098098|0.161041|0.126563|0.178955|0.178742|0.226578|0.303232|0.500000| |2.126141|2.289333|2.451319|2.509897|2.121861|2.853467|3.500149|4.057937|4.834607|2.911927|3.631586|2.534484|2.170866|1.954149|2.673617|2.209870|2.563922|5.526183|0.144820|4.906881|8.470095|0.138046|6.336692|7.256273|8.831260|0.207264|17.542758|8.756576|0.176378|7.290894|6.412325|3.848717|6.975689|4.175150|2.573995|2.460863|2.106123|1.917868|1.970446|2.253178|0.055419|0.054481|0.063524|0.057647|0.068913|0.061360|0.076454|0.072493|0.054514|0.056198|0.058502|0.099482|0.058101|0.049306|0.059971|0.079915|0.117554|0.113672|0.180846|0.129676|0.214579|0.144576|0.500000| |2.430724|2.644607|2.748964|2.792335|2.330747|3.182845|4.113386|4.575996|5.015323|3.012248|3.867699|2.530250|2.175467|1.928487|2.595313|2.122564|2.484810|6.682630|0.209220|5.339088|7.878690|0.128922|4.933306|5.542111|8.733150|0.215950|17.578964|8.839710|0.228316|6.160133|6.135089|3.623808|6.372070|4.029855|2.487851|2.310651|1.999542|1.864269|1.953785|2.243259|0.063834|0.060802|0.072925|0.065879|0.082377|0.067071|0.087747|0.078096|0.058876|0.062722|0.063553|0.124925|0.059139|0.048838|0.056820|0.076411|0.136347|0.116387|0.128122|0.108957|0.143214|0.123128|0.303447|0.500000| |1.821264|1.878504|1.966747|1.943982|1.690718|2.268524|2.656460|3.124351|4.025974|2.464011|3.005595|2.263874|1.948214|1.808739|2.549024|2.134520|2.405790|4.038455|0.105048|4.555031|9.475394|0.193137|6.599323|5.050891|4.797289|0.109836|6.481075|8.770839|0.175112|17.586421|12.349533|7.064083|12.377932|6.680337|3.787770|3.613688|2.879800|2.517085|2.575100|3.061270|0.048129|0.047305|0.054905|0.047647|0.055513|0.050571|0.057392|0.055564|0.044404|0.045290|0.046170|0.073372|0.051191|0.045663|0.059939|0.076549|0.115937|0.110233|0.241636|0.142995|0.139672|0.110948|0.198665|0.143796|0.500000| |1.859737|1.938262|1.991835|1.987915|1.735068|2.256944|2.683066|3.038308|3.738446|2.314123|2.905474|2.080359|1.813510|1.668362|2.310557|1.900294|2.144549|3.989298|0.112138|4.183227|7.578725|0.146434|4.742092|4.223377|4.650844|0.110823|7.221091|9.035109|0.209399|17.605994|12.696875|5.782081|8.932183|6.040496|3.366801|3.042514|2.494938|2.272325|2.399504|2.875714|0.049666|0.047724|0.055680|0.049340|0.058334|0.050589|0.059796|0.055972|0.045044|0.046963|0.047515|0.076892|0.048449|0.042484|0.052575|0.066730|0.112502|0.097278|0.146001|0.106489|0.116020|0.095068|0.212698|0.185518|0.304228|0.500000| |1.714510|1.738166|1.751551|1.710991|1.516851|1.964647|2.277170|2.558416|3.242822|2.045112|2.566421|1.881081|1.655411|1.544939|2.159651|1.772615|1.965062|3.199720|0.090536|3.640565|6.245048|0.139356|3.753763|3.159573|3.327328|0.080448|4.289989|5.855572|0.165699|9.130532|26.050290|9.361533|10.872818|10.578659|4.911508|3.990871|3.119175|2.867260|3.159785|4.080181|0.046398|0.044238|0.051547|0.044455|0.051861|0.045069|0.050686|0.047677|0.039812|0.041459|0.041204|0.064586|0.044059|0.039510|0.049665|0.061005|0.105483|0.087927|0.113056|0.092057|0.084211|0.075722|0.116149|0.114194|0.193065|0.240394|0.500000| |1.568820|1.557140|1.559646|1.502617|1.347593|1.738362|1.962102|2.194424|2.873592|1.848571|2.312878|1.744153|1.549542|1.469225|2.076643|1.701391|1.848843|2.609806|0.072700|3.065986|4.953078|0.117590|3.087766|2.566096|2.597517|0.063740|3.037076|3.922714|0.112581|4.928895|10.628952|9.448113|10.830532|26.050262|9.212450|5.904697|4.340582|4.057760|4.781620|7.199436|0.042712|0.040915|0.047231|0.040014|0.045812|0.040710|0.043823|0.041798|0.035775|0.036938|0.036430|0.054773|0.041015|0.037710|0.048334|0.057157|0.090810|0.078221|0.091440|0.081082|0.067897|0.064138|0.081738|0.080410|0.124671|0.123109|0.242998|0.500000| |1.499079|1.476777|1.517937|1.453285|1.301596|1.716426|1.888896|2.166931|3.008335|1.949628|2.369721|1.920649|1.697510|1.649213|2.407851|2.013407|2.133394|2.473174|0.064868|2.994407|4.917993|0.121933|3.451922|2.706625|2.491590|0.060892|2.686052|3.313666|0.087079|3.832283|6.197727|6.504556|12.715167|9.674613|8.921150|17.767123|8.907737|5.637992|4.950318|5.643835|0.040153|0.039863|0.045291|0.037888|0.042457|0.040323|0.041526|0.041157|0.035054|0.035190|0.035155|0.050888|0.043917|0.042002|0.059313|0.067086|0.083203|0.082757|0.105495|0.098759|0.071938|0.069655|0.074024|0.067400|0.114115|0.090613|0.113749|0.150311|0.500000| |1.359545|1.321281|1.350376|1.283773|1.164506|1.507195|1.618912|1.821665|2.569305|1.716289|2.104706|1.731442|1.562433|1.548454|2.280688|1.879090|1.928970|1.992888|0.052649|2.353859|3.569726|0.084252|2.542927|2.110606|1.961176|0.049105|2.040118|2.393861|0.064736|2.593097|4.009474|3.711313|7.068556|5.665292|5.664272|8.947930|17.726559|8.914870|5.651640|4.960248|0.036613|0.036562|0.040883|0.034143|0.037573|0.036329|0.036290|0.036244|0.031652|0.031584|0.031371|0.043423|0.040401|0.039822|0.056086|0.059262|0.066218|0.066976|0.074175|0.074859|0.056114|0.056287|0.055810|0.052371|0.074987|0.064179|0.076847|0.099768|0.215406|0.500000| |1.312546|1.261858|1.268394|1.198648|1.096059|1.397910|1.494087|1.650592|2.299967|1.554584|1.937293|1.557372|1.422733|1.406558|2.044355|1.655447|1.699755|1.788586|0.048262|2.085346|3.034390|0.070292|2.089914|1.791129|1.720895|0.043546|1.791750|2.085672|0.058347|2.213056|3.475476|3.085902|5.549805|4.919769|4.957162|5.639091|8.910844|17.729986|8.915338|5.646457|0.035771|0.035279|0.039379|0.032752|0.035917|0.034164|0.033890|0.033484|0.029810|0.029988|0.029427|0.040417|0.037173|0.036493|0.048650|0.051341|0.060452|0.058786|0.059383|0.060570|0.047314|0.048036|0.048343|0.047083|0.061593|0.056010|0.068564|0.092024|0.124051|0.214834|0.500000| 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