Version2.4 2021-06-09T19:29:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(C[C@@](CCO1)(CC[NH2+]C[C@@H]2[C@H]3C[C@H]4C(=C)CCC[C@@]4(C[C@H]3OC2=O)C)c5ccc(cc5)OC)C C08763176 RHF 6-31G(d) (6D,7F) CC1(C[C@@](CCO1)(CC[NH2+]C[C@@H]2[C@H]3C[C@H]4C(=C)CCC[C@@]4(C[C@H]3OC2=O)C)c5ccc(cc5)OC)C C01[X(C31H46N1O4)] 240 C1 632 COc1ccc(cc1)[C@]1(CCOC(C1)(C)C)CC[NH2+]C[C@H]1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C COc1ccc(cc1)[C@]1(CCOC(C1)(C)C)CC[NH2+]C[C@H]1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C COc1ccc(cc1)[C@@]2(CC[NH2+]C[C@@H]3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCOC(C)(C)C2 InChIKey=RFDKIHZDUCQJAN-OGVMMJPESA-O InChI=1S/C31H45NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27,32H,1,6-7,12-20H2,2-5H3/p+1/t24-,25-,26+,27-,30-,31+/m1/s1 InChI=1/C31H45NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27,32H,1,6-7,12-20H2,2-5H3/p+1/t24-,25-,26+,27-,30-,31+/m1/s1/fC31H46NO4/h32H/q+1 CC1(C[C@@](CCO1)(CC[NH2+]C[C@@H]2[C@H]3C[C@H]4C(=C)CCC[C@@]4(C[C@H]3OC2=O)C)c5ccc(cc5)OC)C C01[X(C31H46N1O4)] 240 C01 632 COc1ccc(cc1)[C@]1(CCOC(C1)(C)C)CC[NH2+]C[C@H]1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@]1(CC[NH2]C[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]2C(=C)CCC[C@@]2(C3)C)CCOC(C1)(C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@]2(CC[NH2]C[C@@H]3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCOC(C)(C)C2 InChIKey=ARCZYSUERXUGEG-OGVMMJPESA-N InChI=1S/C31H46NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27H,1,6-7,12-20,32H2,2-5H3/t24-,25-,26+,27-,30-,31+/m1/s1 InChI=1/C31H46NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27H,1,6-7,12-20,32H2,2-5H3/t24-,25-,26+,27-,30-,31+/m1/s1 3948.4932920729 -1554.3953165 1-A 30950.1019 135 497 632 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.73330 -20.68598 -20.66708 -20.63465 -15.84211 -11.51404 -11.45642 -11.43085 -11.41687 -11.40066 -11.38297 -11.37274 -11.37222 -11.36234 -11.35808 -11.35346 -11.35278 -11.33455 -11.32815 -11.32702 -11.32598 -11.32593 -11.32521 -11.32499 -11.31755 -11.31383 -11.31373 -11.31189 -11.31157 -11.30052 -11.29728 -11.29437 -11.29107 -11.28948 -11.28876 -11.28451 -1.60779 -1.51236 -1.49777 -1.47975 -1.46542 -1.27074 -1.25826 -1.23778 -1.21433 -1.18073 -1.16514 -1.16009 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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 11184.3822 45581.0451 53218.9304 0.99998 -0.00591 0.00159 0.00592 0.99998 -0.00236 -0.00158 0.00237 1.00000 1 0.00774 0.00190 0.00163 0.16136 0.03959 0.03391 12.03 16.78 32.45 52.36 61.05 77.64 92.85 102.32 126.39 134.47 161.26 169.33 189.85 198.65 211.54 230.10 250.96 273.72 284.74 303.33 315.68 320.87 340.35 348.54 369.26 381.95 391.64 414.86 425.72 433.29 444.91 453.82 470.17 497.16 507.90 525.93 549.01 555.08 585.77 593.47 637.19 639.68 652.68 668.11 674.33 695.01 719.42 727.82 738.71 758.47 782.65 788.01 809.42 843.93 867.62 889.83 911.87 941.72 950.51 984.53 1011.47 1080.60 1084.67 1101.31 1120.66 1148.76 1163.58 1186.47 1187.80 1214.64 1233.07 1259.67 1272.20 1302.88 1321.36 1338.78 1344.49 1354.44 1361.73 1366.19 1386.38 1389.62 1410.84 1437.91 1451.40 1464.35 1476.62 1479.38 1496.13 1512.82 1529.56 1536.44 1538.08 1550.02 1557.84 1567.30 1584.89 1587.22 1592.38 1597.34 1601.15 1614.24 1621.62 1636.73 1653.68 1664.64 1676.02 1683.75 1688.27 1713.69 1733.97 1738.34 1759.98 1771.42 1777.48 1801.27 1811.86 1829.10 1840.75 1860.52 1862.33 1870.36 1883.68 1897.04 1902.08 1915.41 1917.79 1928.86 1942.31 1960.87 1968.71 1975.41 1994.69 2003.19 2012.29 2024.35 2026.94 2057.16 2070.21 2078.08 2086.44 2100.35 2106.39 2114.99 2119.80 2131.39 2135.34 2153.84 2158.32 2165.10 2174.68 2178.72 2181.85 2206.24 2215.04 2219.06 2224.55 2239.19 2244.24 2248.81 2250.11 2257.93 2263.42 2267.20 2269.95 2273.44 2304.09 2328.49 2333.70 2336.18 2341.32 2347.18 2350.74 2351.43 2353.27 2363.41 2364.99 2365.79 2374.36 2374.98 2376.25 2377.58 2384.64 2389.25 2390.05 2396.61 2400.14 2413.40 2443.08 2545.54 2618.71 2654.14 2702.85 2884.62 4514.16 4576.22 4585.60 4599.72 4615.53 4619.49 4621.53 4624.98 4632.38 4632.78 4634.28 4637.09 4642.61 4643.90 4644.95 4657.87 4662.75 4667.40 4687.33 4693.15 4696.53 4701.26 4703.25 4708.94 4709.88 4715.36 4720.54 4727.20 4731.97 4737.68 4738.19 4738.79 4752.64 4768.88 4769.62 4796.52 4810.18 4811.33 4824.44 4848.54 4880.33 4888.46 4907.28 4911.71 5119.78 5335.72 0.789268 0.821690 0.822634 0.723286 -1553.606049 -1553.573627 -1553.572683 -1553.672031 3.332148D-04 MUNgauss RevisionA2.1 retrievium 09-Jun-2021 DUDE CC1(C[C@@](CCO1)(CC[NH2+]C[C@@H]2[C@H]3C[C@H]4C(=C)CCC[C@@]4(C[C@H]3OC2=O)C)c5ccc(cc5)OC)C C08763176 RHF 6-31G(d) (6D,10F) C1 496.342684 |X|Y|Z| 73.437778 35.307578 155.917799 73.942543 29 6 7 8 26 1 2 |36.858105| |12.461423|36.858105| |7.639870|12.312737|36.858105| |4.870814|7.174957|12.280327|36.858105| |4.568465|6.527668|7.683783|12.303911|36.858105| |5.232630|7.956186|6.714018|7.435041|12.501063|36.858105| |8.183585|13.518240|7.862217|6.464439|7.880343|13.639534|73.516695| |3.976529|5.655588|7.310422|12.232871|7.553383|6.016546|8.987799|36.858105| |3.647193|4.743694|6.110640|7.362420|4.867221|4.219158|7.027783|12.490635|36.858105| |2.913141|3.612660|4.175038|4.901235|3.812990|3.464207|5.666521|7.681584|12.667223|53.358707| |2.664038|3.279052|3.810015|4.719320|3.806354|3.358303|5.337987|7.229809|9.240018|25.694589|0.500000| |2.910858|3.642786|3.962338|4.540553|3.732241|3.564712|5.789927|7.092880|9.115378|25.484376|0.328666|0.500000| |2.574882|3.020312|3.427447|3.728089|2.992489|2.771433|4.706400|4.938990|7.507951|17.298535|0.256853|0.257779|36.858105| |2.204152|2.543026|2.762028|2.995604|2.554149|2.426100|4.088326|3.848648|4.940823|10.449609|0.193468|0.207789|12.436889|36.858105| |2.085210|2.417407|2.637758|2.948152|2.559168|2.401456|3.969203|3.800969|4.613442|9.745479|0.211675|0.192071|8.908747|17.556290|0.500000| |1.955148|2.185444|2.349962|2.473805|2.142782|2.050744|3.520267|2.991128|3.712611|6.649443|0.126602|0.131484|7.299077|12.377269|0.242628|36.858105| |1.956335|2.163096|2.360637|2.461048|2.106356|1.994919|3.456029|2.910886|3.680097|6.249135|0.118671|0.117753|7.078184|8.674742|0.186431|17.554390|0.500000| |1.713041|1.903083|2.032833|2.165975|1.926103|1.842219|3.132391|2.573379|3.023827|5.249668|0.106805|0.105319|4.966621|7.530321|0.208565|12.385033|0.245487|36.858105| |1.553421|1.695447|1.788640|1.870321|1.682997|1.626638|2.797738|2.161931|2.492897|4.093976|0.082194|0.083015|3.718163|4.918839|0.130994|7.473539|0.181927|12.460192|36.858105| |1.551547|1.679605|1.782767|1.847407|1.650142|1.588289|2.753287|2.109961|2.459833|3.951652|0.078608|0.078665|3.656208|4.536223|0.117379|7.026512|0.199545|8.973036|17.434580|0.500000| |1.396133|1.516715|1.596491|1.678523|1.533215|1.479941|2.534416|1.913824|2.149438|3.456734|0.071003|0.070089|2.984564|3.744327|0.105859|4.855860|0.124598|7.417711|12.538694|0.252062|36.858105| |1.363422|1.488958|1.572218|1.674653|1.541445|1.479803|2.510430|1.911790|2.115844|3.414026|0.071770|0.069103|2.866536|3.572037|0.106471|4.272648|0.109025|6.491482|7.560256|0.166076|14.418425|36.858105| |1.289370|1.384110|1.446668|1.502510|1.380573|1.340779|2.315199|1.685336|1.877265|2.936456|0.059737|0.059682|2.497646|2.986182|0.082470|3.758809|0.100469|4.871448|7.532236|0.196313|12.593439|7.677745|36.858105| |1.289385|1.379184|1.424306|1.465496|1.351696|1.327897|2.304862|1.643102|1.823310|2.837786|0.056951|0.058587|2.394702|2.861048|0.077261|3.559582|0.093089|4.303842|6.422810|0.163598|7.573576|5.326587|12.419145|36.858105| |1.412394|1.512207|1.558258|1.590702|1.453488|1.433554|2.502099|1.796106|2.023732|3.169149|0.062428|0.065760|2.735763|3.309688|0.085944|4.312619|0.111380|4.899614|7.574387|0.197828|6.532286|4.587727|7.535361|12.446404|36.858105| |1.558093|1.692570|1.752527|1.806838|1.637639|1.610495|2.790091|2.084493|2.381012|3.861515|0.075791|0.080744|3.420400|4.454297|0.113699|6.246100|0.146684|7.461910|12.229938|0.247915|7.511884|5.285362|6.353179|7.405062|12.331108|36.858105| |1.731562|1.879074|1.939987|1.969304|1.760240|1.740462|3.048214|2.282453|2.670163|4.316318|0.081706|0.090675|3.956683|5.045941|0.118142|7.308816|0.172633|6.440907|7.591175|0.198995|4.928387|3.881095|4.376346|4.901131|7.638484|12.359327|36.858105| |1.976526|2.185947|2.283098|2.335385|2.045253|2.009091|3.501199|2.788623|3.391839|5.764702|0.105503|0.121409|5.723227|7.980356|0.162546|12.385573|0.245172|7.420945|6.458521|0.168969|4.296361|3.650431|3.594469|3.708142|4.894050|7.299083|12.528007|36.858105| |2.123943|2.330830|2.434900|2.435731|2.104360|2.072823|3.667511|2.878609|3.582962|5.838892|0.103255|0.121165|5.882720|6.816863|0.138435|8.800746|0.223750|5.485400|4.969257|0.140315|3.561286|3.077964|3.116081|3.219226|4.173746|5.458713|8.976238|17.565306|0.500000| |2.075550|2.336935|2.393024|2.470834|2.191298|2.188829|3.774035|3.027376|3.584099|6.291880|0.114172|0.144151|5.631384|8.165195|0.172638|8.097390|0.162863|6.006603|4.998313|0.123201|3.712717|3.341488|3.115869|3.263927|4.073054|5.796046|7.737161|13.177861|0.261868|73.516695| |2.257371|2.614367|2.718427|2.888788|2.528291|2.496215|4.221554|3.718792|4.489183|8.807143|0.156199|0.215977|7.644240|12.486924|0.248087|7.950576|0.161487|5.809798|4.373424|0.108963|3.404033|3.216601|2.807350|2.826159|3.332485|4.507097|5.328273|8.405831|0.196516|25.951727|36.858105| |2.420161|2.870401|2.922899|3.146042|2.797566|2.816768|4.686528|4.181170|4.764694|9.218034|0.163708|0.267559|6.394580|7.917172|0.194285|5.362330|0.120552|4.387624|3.484815|0.087798|2.878002|2.792598|2.429575|2.456886|2.818141|3.609664|4.096830|5.600736|0.143129|15.278633|15.972033|73.516695| |1.533419|1.677648|1.716602|1.784319|1.641784|1.629856|2.798831|2.073148|2.309957|3.774999|0.074943|0.081210|3.181013|4.195651|0.111874|5.092077|0.115468|6.148880|7.396253|0.152076|6.141656|5.061219|5.151024|6.126570|7.557811|12.367863|7.529790|5.847953|0.124579|10.416691|4.620475|6.857356|36.858105| |3.842788|4.801251|7.467243|12.335734|7.519419|4.885549|7.904676|7.638593|6.225578|6.035084|0.124735|0.108120|3.576530|2.862330|0.079432|2.412051|0.068017|2.137890|1.846503|0.051113|1.670751|1.676197|1.495274|1.440222|1.550340|1.750590|1.886787|2.218224|0.063953|4.057667|2.640692|4.935033|1.708855|36.858105| |3.058264|3.702632|4.941867|7.462411|6.336573|4.227697|6.501423|6.148319|5.026005|5.537068|0.122569|0.099881|3.308817|2.751594|0.078877|2.323148|0.065107|2.114121|1.818443|0.050031|1.668620|1.697908|1.486521|1.419841|1.510659|1.705017|1.803765|2.100942|0.059432|3.847651|2.509646|4.682883|1.676007|13.577246|36.858105| |2.604945|2.995157|3.830817|4.969598|4.414256|3.265963|5.230296|4.381514|3.997853|4.677140|0.104001|0.084193|2.975086|2.521879|0.072727|2.189750|0.062194|2.024334|1.756151|0.048663|1.628839|1.664873|1.456843|1.379345|1.455489|1.628458|1.705916|1.960685|0.055272|3.525677|2.262077|4.129536|1.588716|7.837673|13.869170|36.858105| |2.578407|2.860160|3.689175|4.358489|3.731213|2.893156|4.854252|3.789226|3.707197|4.292754|0.092327|0.076858|2.858506|2.400279|0.067951|2.134745|0.061759|1.959968|1.720163|0.048270|1.591922|1.612805|1.435399|1.357496|1.435389|1.592852|1.678009|1.917601|0.054643|3.386586|2.138840|3.839528|1.533973|6.738144|7.926585|13.647396|36.858105| |2.990237|3.275315|4.442178|4.919433|3.928328|3.072506|5.346905|4.067516|4.117180|4.512387|0.093301|0.080358|3.027010|2.472913|0.068330|2.203668|0.064271|1.979727|1.744418|0.049264|1.594499|1.595117|1.443823|1.375362|1.469160|1.629611|1.743645|2.004811|0.058067|3.524477|2.216636|3.970548|1.558500|7.821997|6.914219|7.970907|13.785329|36.858105| |3.751123|4.293740|6.566112|7.371396|5.141454|3.851500|6.758799|5.398703|5.295104|5.287348|0.106391|0.093971|3.386935|2.692864|0.073491|2.342058|0.067536|2.065370|1.806585|0.050703|1.632720|1.625234|1.473305|1.416197|1.526760|1.707621|1.849915|2.157645|0.063002|3.851850|2.452807|4.465744|1.642338|13.754810|8.043747|6.929107|7.925055|13.665967|36.858105| |2.200501|2.385501|2.937387|3.338120|2.985819|2.418627|4.086913|3.022869|3.008643|3.649950|0.078755|0.066210|2.509505|2.166967|0.061693|1.971210|0.057302|1.841941|1.634796|0.046056|1.531539|1.558423|1.389085|1.305850|1.368684|1.504941|1.568957|1.767023|0.050067|3.092801|1.927735|3.427549|1.445514|4.574177|5.306668|8.207318|14.210356|7.879120|5.197142|73.516695| |2.091099|2.205594|2.674624|2.887311|2.581226|2.158207|3.737911|2.618161|2.669609|3.252132|0.068735|0.059431|2.298964|1.995923|0.056098|1.854350|0.054456|1.730996|1.558627|0.044316|1.461950|1.476680|1.339521|1.260543|1.321204|1.438443|1.503473|1.676825|0.047835|2.902620|1.782714|3.142182|1.370842|3.756424|3.988141|5.255441|8.014021|6.698678|4.497927|24.125109|36.858105| |7.677501|12.404797|7.345008|5.586065|4.988070|6.203574|13.982395|5.558240|4.996080|5.441153|0.097073|0.117977|3.340627|2.843142|0.073627|2.417263|0.065430|2.073338|1.843786|0.050419|1.630030|1.588455|1.483819|1.493460|1.656390|1.870631|2.109118|2.482903|0.074114|4.840684|3.050631|6.102786|1.866186|3.939170|3.202208|2.640879|2.512507|2.816689|3.543994|3.798972|1.983401|36.858105| |17.547841|8.772893|6.939841|4.450844|3.915610|4.225251|10.288071|3.780308|3.697787|4.012399|0.073845|0.080975|2.675299|2.266595|0.058815|2.031911|0.056998|1.761848|1.603977|0.044810|1.432669|1.389606|1.326614|1.328074|1.463242|1.610849|1.807890|2.066335|0.062522|3.808296|2.308011|4.330486|1.569444|3.677528|2.913440|2.527375|2.556163|3.018671|3.757984|3.898368|2.112549|6.909673|0.500000| |17.586537|8.841175|5.528583|4.008346|3.966663|4.814012|13.118137|3.461004|3.176841|3.597216|0.067432|0.074736|2.357333|2.064540|0.054317|1.844740|0.050920|1.627839|1.487342|0.041131|1.341266|1.308843|1.244378|1.252059|1.370623|1.505227|1.670108|1.887555|0.056147|3.551336|2.150088|4.121336|1.491356|3.217872|2.668385|2.301703|2.261946|2.561360|3.105571|3.491639|1.871879|7.111423|0.300677|0.500000| |17.588763|8.825839|7.001705|4.699618|4.582259|4.988515|13.257221|3.657823|3.314538|3.627122|0.069006|0.072998|2.366765|2.035293|0.054040|1.817204|0.050762|1.609197|1.462762|0.040664|1.324782|1.299354|1.226007|1.220277|1.327355|1.456920|1.603739|1.816777|0.053856|3.363386|2.054992|3.887393|1.432192|3.907590|3.123281|2.688678|2.685568|3.128887|3.890118|4.075506|2.187714|5.547122|0.300145|0.301882|0.500000| |6.782768|8.835053|17.534911|8.662638|5.524332|4.993235|10.132165|6.753493|6.916478|6.155334|0.110423|0.116306|3.839823|2.990896|0.077632|2.557499|0.072272|2.167679|1.905864|0.053187|1.682351|1.642565|1.524186|1.500733|1.655590|1.866115|2.094368|2.490725|0.075117|4.571790|2.908194|5.446398|1.804666|6.596128|4.476452|3.633719|3.635665|4.522315|6.610356|5.194106|2.709707|6.943580|0.201449|0.139854|0.165609|0.500000| |7.580480|9.004075|17.595085|8.987625|6.905234|5.827864|12.443932|5.467876|4.757371|4.725888|0.090439|0.090956|2.962207|2.434171|0.065109|2.117235|0.059585|1.856987|1.650933|0.045929|1.487245|1.467594|1.356745|1.332394|1.448217|1.611953|1.770098|2.050414|0.060554|3.771509|2.372555|4.471017|1.574290|7.286797|4.875178|3.916932|3.894874|4.833467|7.158060|5.497443|2.848671|5.509282|0.189123|0.149494|0.230609|0.305291|0.500000| |3.643814|4.871627|5.531693|8.702742|17.551014|8.909643|10.155320|7.122229|4.584937|5.200563|0.110453|0.104352|2.965427|2.581441|0.073393|2.149902|0.058267|1.960014|1.702011|0.046054|1.561273|1.584243|1.398462|1.363373|1.456678|1.646442|1.749426|2.028891|0.057203|3.885713|2.543186|5.031157|1.663130|6.669111|6.756477|4.643154|3.707912|3.690168|4.549933|5.345447|2.547477|4.140458|0.089474|0.091019|0.101045|0.122653|0.140383|0.500000| |4.504498|5.794657|6.868676|8.863836|17.567241|8.945770|12.626992|5.530999|4.043482|4.396090|0.089869|0.086780|2.643826|2.273989|0.063259|1.949142|0.053721|1.765620|1.559034|0.042698|1.429824|1.437638|1.296430|1.267336|1.356708|1.514115|1.621192|1.861059|0.053297|3.497087|2.232046|4.312325|1.510781|7.189755|6.180030|4.525661|3.901428|4.117874|5.280808|5.552461|2.710624|4.250344|0.106533|0.108002|0.134464|0.139526|0.202496|0.303257|0.500000| |4.625894|6.971861|5.812993|6.588150|8.768043|17.514874|16.490756|6.512471|4.494457|5.201024|0.102110|0.113603|2.986207|2.644652|0.072719|2.200108|0.058658|1.970596|1.729082|0.046545|1.566054|1.565774|1.411719|1.403608|1.520756|1.722517|1.865456|2.169655|0.061856|4.289374|2.786363|5.750639|1.759563|4.392970|3.901193|3.047001|2.691195|2.830811|3.492872|4.042232|2.030839|6.737590|0.108365|0.122129|0.116772|0.129873|0.133426|0.214343|0.173806|0.500000| |4.435399|5.817328|5.008023|5.461122|8.882719|17.619297|17.034363|4.613763|3.437930|4.013782|0.080781|0.084443|2.419897|2.167098|0.060099|1.857513|0.050146|1.693362|1.507436|0.040824|1.384695|1.390207|1.260350|1.249054|1.339375|1.494257|1.599952|1.822172|0.051873|3.522541|2.233148|4.455130|1.520102|4.088856|3.751910|3.001758|2.655176|2.760718|3.325133|4.025212|2.026785|4.792781|0.100440|0.118839|0.122454|0.109623|0.130628|0.213913|0.219115|0.303826|0.500000| |3.307294|4.412068|5.427201|8.871852|6.936234|5.280647|7.547180|17.539003|8.926746|9.935908|0.226774|0.184556|4.715892|3.836492|0.110455|2.961000|0.079489|2.617199|2.176011|0.058555|1.949197|1.975620|1.703199|1.645904|1.779540|2.069902|2.220987|2.691671|0.075435|5.193552|3.617929|7.207338|2.074668|7.242393|7.062003|4.894287|3.966922|3.998364|4.981076|5.651077|2.680074|4.301029|0.087175|0.081853|0.086952|0.139248|0.124624|0.214850|0.145424|0.158110|0.120170|0.500000| |4.089131|6.028476|6.519048|8.675653|7.042262|6.793330|9.848099|17.617531|8.918706|9.409528|0.174408|0.207932|4.578566|3.771502|0.102596|2.928628|0.077556|2.527023|2.138300|0.057448|1.891345|1.884333|1.670385|1.646706|1.806568|2.100543|2.308990|2.814341|0.080455|5.614268|3.889866|8.201814|2.121409|5.521045|4.714847|3.566462|3.134250|3.334310|4.238204|4.601862|2.283544|6.644387|0.105901|0.102020|0.101356|0.164475|0.135455|0.185168|0.141144|0.236885|0.141057|0.304980|0.500000| |4.079866|5.256064|6.450526|6.405583|4.417277|4.101348|7.269455|8.744016|17.647661|12.462641|0.181581|0.220724|6.970446|4.695901|0.115695|3.672710|0.101723|2.924477|2.463296|0.068030|2.102578|2.038184|1.857670|1.827036|2.053815|2.403537|2.765684|3.526453|0.107433|6.611222|4.506415|8.439950|2.315092|5.200805|4.114922|3.391256|3.262163|3.725726|4.776546|4.803958|2.467847|5.948255|0.118925|0.098151|0.099338|0.225746|0.135691|0.111269|0.104165|0.121518|0.092557|0.173904|0.216088|0.500000| |3.406362|4.204796|5.715059|6.835589|4.490447|3.730786|6.308096|8.764845|17.643727|12.402905|0.220720|0.179724|6.994017|4.566198|0.120290|3.599581|0.103015|2.963066|2.454674|0.068291|2.130337|2.100992|1.864999|1.790222|1.973585|2.298731|2.554062|3.192579|0.093819|5.741362|3.908523|7.022439|2.193842|7.087338|5.622161|4.620334|4.434987|5.069036|6.520800|6.239722|3.094916|4.150693|0.097345|0.081630|0.088602|0.184830|0.132276|0.117981|0.108899|0.105614|0.086629|0.207254|0.173676|0.300604|0.500000| |2.756305|3.187678|3.571960|3.667085|2.919550|2.760450|4.827561|4.662028|7.175972|12.419393|0.181439|0.214980|17.615945|8.727785|0.173325|6.574936|0.186133|4.385872|3.509643|0.098067|2.796121|2.626276|2.403474|2.348575|2.734336|3.360874|4.095342|5.986196|0.192494|10.141240|6.989571|10.502885|3.073868|3.443132|3.074229|2.761900|2.711932|2.954778|3.352124|4.231999|2.220562|3.609399|0.081260|0.069985|0.069389|0.115200|0.085214|0.078371|0.072143|0.082239|0.066609|0.116921|0.122833|0.219621|0.182902|0.500000| |2.448271|2.826267|3.298599|3.621920|2.889429|2.607316|4.432921|4.557739|6.733459|12.373170|0.227176|0.181439|17.628400|8.758673|0.210487|6.552795|0.199846|4.790303|3.624094|0.101752|2.966660|2.874315|2.485850|2.330773|2.617677|3.198392|3.586208|4.848550|0.137912|7.960158|5.525174|8.465394|2.915691|3.693421|3.470328|3.217891|3.149348|3.318832|3.602237|4.941531|2.546378|3.002413|0.070858|0.061799|0.063578|0.102849|0.081118|0.079804|0.072195|0.076279|0.063751|0.124461|0.112225|0.165942|0.204611|0.301470|0.500000| |1.676764|1.862444|2.016894|2.173331|1.929117|1.818493|3.077466|2.562595|3.002116|5.151721|0.108346|0.099949|4.804750|6.590370|0.200683|8.900020|0.222643|17.556020|8.829632|0.212988|6.887719|6.774381|4.575828|3.813579|4.081318|5.450874|4.828757|5.482229|0.124631|8.247868|4.794825|6.830833|4.679409|2.189687|2.195288|2.132457|2.067719|2.064966|2.123531|3.483118|1.836370|1.994875|0.047811|0.044027|0.044093|0.059583|0.051535|0.054826|0.049364|0.053594|0.046524|0.073453|0.068669|0.079030|0.083736|0.114501|0.138141|0.500000| |1.702565|1.906373|2.017042|2.170802|1.956394|1.883355|3.170523|2.607875|2.987970|5.272944|0.109267|0.109486|4.666914|7.312740|0.225470|8.811425|0.174366|17.558375|8.849238|0.174739|6.663364|6.523211|4.460912|4.086923|4.502679|6.794332|5.676031|6.489890|0.134156|11.158010|6.303550|8.656087|6.899284|2.117633|2.111201|2.004068|1.912013|1.917164|2.012780|3.184367|1.669286|2.088629|0.048218|0.045159|0.044376|0.059033|0.050999|0.055795|0.049526|0.056482|0.048256|0.074495|0.072161|0.079569|0.079719|0.112837|0.120565|0.304368|0.500000| |1.431107|1.577153|1.674224|1.805477|1.659700|1.584000|2.664822|2.084978|2.305181|3.790680|0.081112|0.076540|3.161267|4.025456|0.126008|4.614447|0.114998|7.282678|6.800018|0.149298|9.021406|17.728261|5.472004|4.263007|3.958195|4.824372|3.755173|3.753921|0.087419|6.274328|3.532129|5.461180|4.814470|1.809508|1.847083|1.806634|1.733757|1.703726|1.739031|2.966607|1.565809|1.680872|0.040366|0.038046|0.037882|0.048442|0.043247|0.047697|0.042790|0.046705|0.041253|0.060507|0.056916|0.060863|0.063477|0.078414|0.088152|0.227180|0.220620|0.500000| |1.268505|1.378282|1.450983|1.543416|1.433088|1.377463|2.337653|1.742121|1.902671|3.014672|0.063562|0.061073|2.478037|2.983714|0.088720|3.443744|0.089805|4.752071|5.447328|0.129908|9.116928|17.714375|7.048804|4.923482|3.997624|4.264780|3.252184|3.039838|0.073107|5.034493|2.738539|4.333087|4.206974|1.549733|1.577333|1.555880|1.508728|1.485457|1.505046|2.610970|1.395992|1.461750|0.035834|0.033913|0.033715|0.041904|0.037845|0.040976|0.037323|0.040335|0.036158|0.050102|0.047728|0.050936|0.052626|0.063619|0.069330|0.138712|0.134139|0.290714|0.500000| |1.287601|1.375065|1.443983|1.492024|1.363698|1.319643|2.289871|1.661837|1.864095|2.884237|0.058412|0.057994|2.478382|2.891295|0.078811|3.684479|0.102861|4.546957|6.797837|0.209975|8.940483|6.055302|17.484980|8.864396|6.763841|5.577468|4.219840|3.496570|0.086454|5.238015|2.668817|4.101000|4.291241|1.494382|1.480535|1.458655|1.449656|1.463417|1.485850|2.502810|1.366854|1.467326|0.036964|0.034430|0.034068|0.042465|0.037745|0.038213|0.035702|0.038402|0.034409|0.046460|0.045468|0.051415|0.051913|0.066852|0.069480|0.122223|0.110706|0.129673|0.155788|0.500000| |1.211648|1.298577|1.355746|1.412354|1.307623|1.269254|2.186304|1.574571|1.732873|2.688774|0.055179|0.054659|2.242130|2.638591|0.074143|3.181134|0.085271|4.048025|5.500226|0.143310|8.881562|7.347724|17.580128|8.794361|5.490848|4.794349|3.532997|3.021134|0.073945|4.814597|2.492131|3.914328|4.305193|1.410152|1.411278|1.389465|1.366656|1.366226|1.387512|2.364609|1.282879|1.384083|0.034503|0.032534|0.032127|0.039450|0.035468|0.036920|0.034219|0.037041|0.033304|0.044435|0.043342|0.047403|0.047910|0.059663|0.062288|0.109637|0.107012|0.144307|0.224508|0.303094|0.500000| |1.220843|1.296210|1.335316|1.365825|1.263682|1.243594|2.168363|1.515840|1.673921|2.565047|0.051391|0.052816|2.145430|2.494097|0.067171|3.035975|0.081284|3.509901|4.852987|0.132494|5.524698|4.253769|8.830338|17.552762|8.864970|5.447543|4.110799|3.183494|0.079386|5.016542|2.468501|3.873749|4.663043|1.344993|1.324137|1.290839|1.276393|1.295128|1.329274|2.191421|1.196649|1.398032|0.034978|0.033000|0.032169|0.039063|0.034868|0.035313|0.033067|0.036361|0.032587|0.042061|0.042171|0.046774|0.045820|0.058996|0.058341|0.088859|0.092391|0.097335|0.114531|0.217575|0.209842|0.500000| |1.265859|1.358024|1.394865|1.440771|1.338978|1.320947|2.283396|1.619265|1.777265|2.774199|0.055956|0.057852|2.299438|2.765724|0.075749|3.320302|0.084841|4.039593|5.558770|0.133418|6.715640|5.271715|8.838495|17.556501|8.802244|6.601440|4.433345|3.472557|0.083220|5.707197|2.795376|4.384700|6.697616|1.408934|1.394247|1.350087|1.319965|1.332347|1.375601|2.254607|1.218926|1.473753|0.036040|0.034258|0.033271|0.040580|0.036208|0.037658|0.034814|0.038924|0.034625|0.045229|0.045358|0.049312|0.048142|0.062240|0.061626|0.099209|0.112573|0.118950|0.139333|0.174068|0.215991|0.304353|0.500000| |1.418351|1.509094|1.562865|1.584890|1.439162|1.414051|2.482623|1.775998|2.018513|3.121950|0.061169|0.063954|2.730249|3.207787|0.082202|4.250564|0.115842|4.591965|6.881809|0.213896|5.755111|4.118049|6.808874|8.905068|17.499755|8.830978|7.234995|4.766339|0.118418|6.720841|3.142793|4.722147|5.512760|1.554198|1.507498|1.459059|1.451448|1.493020|1.545552|2.466203|1.348007|1.645018|0.041059|0.038122|0.037077|0.046416|0.040482|0.039874|0.037457|0.041432|0.036632|0.048639|0.049272|0.057200|0.055205|0.076822|0.073591|0.109773|0.111973|0.099858|0.100762|0.199842|0.139512|0.218335|0.173938|0.500000| |1.396833|1.489256|1.518661|1.539390|1.414488|1.407751|2.467213|1.731459|1.934792|2.999267|0.058707|0.062939|2.543550|3.026495|0.078188|3.764743|0.096768|4.053761|5.498059|0.144002|4.872807|3.753576|5.489087|8.818980|17.532541|8.803302|6.929909|4.492916|0.109691|6.995265|3.170447|4.862295|7.027711|1.488070|1.443947|1.385002|1.364585|1.401229|1.463201|2.308094|1.254508|1.641286|0.040191|0.037875|0.036371|0.044727|0.039200|0.039271|0.036685|0.041560|0.036611|0.047398|0.048785|0.054999|0.052018|0.071543|0.066822|0.094877|0.107592|0.092839|0.093667|0.139199|0.123141|0.212427|0.213945|0.303758|0.500000| |1.700961|1.824812|1.895054|1.904837|1.694197|1.667356|2.944382|2.172967|2.558198|4.023117|0.076055|0.082616|3.720738|4.423993|0.104206|6.396102|0.173402|5.537934|6.779576|0.210372|4.600707|3.591313|4.320930|4.748290|7.374514|8.862016|17.525016|9.113274|0.233132|10.198370|4.387013|6.209631|5.523323|1.843765|1.755003|1.673219|1.665285|1.740233|1.833627|2.781332|1.513124|2.027706|0.049718|0.045446|0.043907|0.057248|0.048374|0.046512|0.043660|0.049169|0.042592|0.058456|0.060415|0.074095|0.069145|0.109407|0.096758|0.124079|0.129529|0.094991|0.085079|0.122818|0.096408|0.115431|0.113730|0.234648|0.181840|0.500000| |1.726755|1.864269|1.893369|1.903104|1.716566|1.720349|3.029681|2.192872|2.524064|4.004411|0.075348|0.085871|3.518603|4.308761|0.102456|5.454877|0.131697|4.875173|5.495925|0.143419|4.058467|3.328177|3.780021|4.455417|6.749143|8.747330|17.556529|8.958305|0.211574|13.120764|4.935562|7.097727|7.071509|1.801408|1.714291|1.612455|1.583127|1.649973|1.761027|2.626785|1.417545|2.116136|0.050051|0.046666|0.044226|0.056553|0.047960|0.047230|0.043917|0.051406|0.044048|0.058854|0.062490|0.073537|0.066271|0.103033|0.087502|0.107071|0.128588|0.089609|0.079876|0.100287|0.087613|0.107437|0.116421|0.171864|0.200386|0.304367|0.500000| |1.431845|1.563906|1.604134|1.678455|1.557126|1.539747|2.631445|1.936036|2.128424|3.449318|0.069773|0.073558|2.852186|3.678320|0.102338|4.327857|0.101496|5.575424|6.810108|0.139828|6.916004|5.984337|5.772220|6.698737|6.732149|8.713273|5.469532|4.543792|0.101352|8.076425|3.887539|5.980414|17.610001|1.620253|1.605687|1.532843|1.476873|1.487865|1.555757|2.491266|1.328186|1.720342|0.040534|0.038697|0.037377|0.046537|0.041113|0.044079|0.039965|0.046002|0.040139|0.054385|0.054786|0.058605|0.056598|0.075496|0.074116|0.125598|0.178382|0.152081|0.140330|0.125244|0.139103|0.137701|0.229427|0.137797|0.169089|0.123123|0.141853|0.500000| |1.640258|1.816524|1.857814|1.948384|1.790497|1.779646|3.032467|2.304692|2.568022|4.311332|0.085617|0.094674|3.599795|4.991516|0.134245|5.679771|0.121815|6.648833|6.540524|0.136822|5.281413|4.723485|4.227680|4.615891|5.470634|8.664243|6.908290|6.442992|0.132954|13.220042|5.867306|8.559687|17.608265|1.849366|1.814709|1.703956|1.630584|1.654859|1.757973|2.710955|1.434642|2.037359|0.046437|0.044251|0.042393|0.054116|0.046944|0.050582|0.045381|0.053860|0.045919|0.064275|0.066012|0.071066|0.066797|0.094930|0.089303|0.137474|0.233638|0.134592|0.108406|0.101383|0.101471|0.103050|0.137043|0.122849|0.143530|0.139299|0.180696|0.303215|0.500000| |1.504496|1.635086|1.653334|1.700986|1.575214|1.580425|2.731158|1.959166|2.162466|3.462376|0.068093|0.075158|2.862744|3.613410|0.095027|4.209898|0.098911|4.644332|5.431130|0.123623|4.727670|4.006170|4.382861|5.602126|7.068061|8.804289|6.789839|5.124791|0.115785|9.482984|4.134486|6.372192|17.553776|1.616996|1.577200|1.491058|1.442478|1.471953|1.556227|2.415332|1.293084|1.829831|0.042793|0.040921|0.038942|0.048204|0.042176|0.044130|0.040345|0.047429|0.041069|0.054028|0.056175|0.060911|0.056769|0.078568|0.072572|0.103516|0.139908|0.105608|0.097389|0.104446|0.104848|0.125962|0.174636|0.144488|0.217663|0.143083|0.208472|0.302060|0.304132|0.500000| |2.915814|3.591764|4.501444|6.936077|6.869429|4.535991|6.572328|6.290669|4.755520|5.521760|0.125663|0.102581|3.214633|2.749349|0.080117|2.295028|0.063276|2.112920|1.810979|0.049321|1.670321|1.711934|1.482911|1.419197|1.504656|1.704063|1.789831|2.081212|0.058242|3.874378|2.547486|4.840200|1.696610|8.840002|17.720112|9.072007|5.668057|4.974453|5.678438|7.661050|3.343856|3.175582|0.075973|0.072062|0.081882|0.111018|0.119701|0.239043|0.175359|0.118500|0.113746|0.224244|0.139389|0.107774|0.137483|0.081919|0.091490|0.060730|0.059459|0.052010|0.044242|0.040744|0.039219|0.036678|0.038952|0.041410|0.040027|0.047939|0.047417|0.045302|0.051344|0.044357|0.500000| |2.302893|2.623482|3.208728|4.063010|3.834287|2.942174|4.667431|3.762821|3.435822|4.227933|0.095656|0.077322|2.722983|2.378741|0.069661|2.081488|0.058788|1.961653|1.706445|0.047087|1.601520|1.652765|1.432062|1.350142|1.412498|1.575824|1.631047|1.857262|0.051823|3.345029|2.137597|3.899758|1.545840|5.594134|8.918770|17.736418|8.946127|5.675555|4.982680|13.488741|4.870683|2.357723|0.061890|0.057497|0.065867|0.084590|0.090436|0.116249|0.108768|0.077236|0.076907|0.119633|0.088180|0.081755|0.106892|0.069589|0.081577|0.057767|0.054272|0.049963|0.043154|0.039725|0.038162|0.035108|0.036825|0.039205|0.037289|0.044328|0.042804|0.041741|0.045988|0.040236|0.218172|0.500000| |2.842184|2.996685|3.922329|4.041950|3.313607|2.713196|4.843484|3.439726|3.593869|4.033648|0.082159|0.072512|2.805011|2.313417|0.063300|2.107779|0.062139|1.894143|1.689916|0.048133|1.546355|1.538003|1.411622|1.345197|1.437228|1.580569|1.694837|1.930582|0.056281|3.353147|2.077163|3.681873|1.500089|5.620786|4.977389|5.644458|8.885038|17.760801|8.946900|12.461557|7.391181|2.605633|0.081339|0.067988|0.082964|0.114319|0.119937|0.085973|0.096711|0.069832|0.068373|0.092526|0.080818|0.093758|0.120916|0.077405|0.085720|0.054838|0.050549|0.045283|0.039884|0.039981|0.037101|0.035349|0.036053|0.040823|0.038094|0.047416|0.044568|0.039774|0.043917|0.039460|0.107952|0.124268|0.500000| |4.324369|4.753952|7.528275|6.768105|4.723508|3.786603|7.048921|5.020641|5.177012|5.092479|0.098665|0.091756|3.345863|2.645641|0.070732|2.328174|0.067477|2.027762|1.790275|0.050512|1.607374|1.584723|1.459820|1.412771|1.533707|1.708660|1.873301|2.183209|0.064715|3.879972|2.441724|4.429363|1.634898|8.893278|5.671824|4.985245|5.681979|9.035767|17.754791|7.493137|3.927367|3.852200|0.124997|0.096472|0.124399|0.233548|0.239462|0.112101|0.134196|0.095409|0.090050|0.121755|0.114053|0.140314|0.171442|0.095406|0.097370|0.057329|0.054605|0.046767|0.040725|0.041016|0.038060|0.036938|0.038018|0.043311|0.040997|0.051880|0.049790|0.042777|0.048445|0.043273|0.123905|0.108103|0.220951|0.500000| |1.874001|1.969378|2.334001|2.518184|2.301724|1.953716|3.371138|2.324514|2.360956|2.942370|0.062524|0.054261|2.095607|1.854140|0.052428|1.738836|0.050952|1.644785|1.490934|0.042375|1.412072|1.432862|1.298671|1.218140|1.267786|1.372757|1.422805|1.572260|0.044584|2.718604|1.660198|2.920617|1.310276|3.161911|3.418255|4.420506|5.890587|4.893395|3.610305|16.987651|17.662513|1.790350|0.052443|0.047130|0.054319|0.065398|0.068480|0.063825|0.066921|0.051377|0.051489|0.066647|0.057120|0.060824|0.074690|0.056026|0.064240|0.048647|0.044126|0.042122|0.037851|0.036827|0.034723|0.032199|0.032749|0.035912|0.033415|0.039790|0.037266|0.035451|0.037952|0.034332|0.082576|0.121503|0.144933|0.089316|0.500000| |2.105437|2.214833|2.695884|2.866291|2.499128|2.111560|3.688344|2.645928|2.787120|3.402255|0.071297|0.061599|2.456325|2.112323|0.058912|1.979307|0.058859|1.834253|1.652047|0.047339|1.540850|1.547512|1.411593|1.324718|1.393534|1.517351|1.592982|1.780635|0.051054|3.047303|1.865740|3.254766|1.432546|3.683249|3.765305|4.719132|6.986508|6.681997|4.537561|16.423054|17.563652|2.014551|0.059893|0.052242|0.060569|0.077702|0.078832|0.067987|0.071728|0.055675|0.054582|0.074409|0.063967|0.072028|0.091293|0.066230|0.076742|0.054218|0.048659|0.045476|0.040489|0.040226|0.037407|0.034929|0.035401|0.039707|0.036638|0.044811|0.041522|0.038443|0.041542|0.037455|0.087748|0.118843|0.223607|0.113186|0.300060|0.500000| |2.184043|2.267492|2.745597|2.894905|2.615303|2.194954|3.851235|2.552842|2.569341|3.083388|0.064401|0.056883|2.165616|1.879746|0.052445|1.746361|0.051087|1.622751|1.469611|0.041754|1.376050|1.384051|1.267381|1.201130|1.262134|1.369615|1.438408|1.600296|0.045887|2.782662|1.702433|3.018200|1.308564|3.731926|3.826515|4.805515|7.088975|6.711863|4.578366|16.435466|17.574088|2.007521|0.061221|0.054126|0.064407|0.076701|0.083257|0.070611|0.077824|0.056691|0.057478|0.071510|0.062283|0.066918|0.081689|0.058835|0.065635|0.047373|0.043586|0.040610|0.036383|0.035893|0.033707|0.031754|0.032304|0.035770|0.033456|0.040228|0.037906|0.035143|0.038020|0.034471|0.089171|0.121089|0.220043|0.113779|0.299893|0.298661|0.500000| |6.949319|8.775127|6.706445|4.993780|4.177395|4.709199|10.084328|5.124899|5.210402|5.655791|0.097905|0.120788|3.618210|3.019826|0.076343|2.594312|0.070864|2.180870|1.945392|0.053606|1.700588|1.640950|1.550923|1.564874|1.753235|1.981388|2.274540|2.701080|0.082549|5.194512|3.231711|6.302868|1.950429|3.760350|3.038425|2.558699|2.487186|2.831672|3.538936|3.779206|1.996353|17.535390|0.205848|0.173968|0.141022|0.207088|0.143040|0.098886|0.101854|0.138728|0.105810|0.110707|0.159476|0.188921|0.121344|0.113354|0.089692|0.057971|0.060316|0.048019|0.041772|0.042802|0.039950|0.040706|0.042631|0.048682|0.048265|0.061198|0.063424|0.049540|0.058908|0.053162|0.081983|0.063256|0.073916|0.109865|0.049951|0.057052|0.055991|0.500000| 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