Version2.1 2021-01-17T10:39:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1nc(cc(n1)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4)C(F)(F)F C03116834 RHF 6-31G(d) (6D,7F) CN(C)c1nc(cc(n1)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4)C(F)(F)F C01[X(C24H27F3N5)] 171 C1 534 CN(c1nc(cc(n1)C(F)(F)F)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)C CN(c1nc(cc(n1)C(F)(F)F)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)C CN(C)c1nc(cc(n1)C(F)(F)F)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4 InChIKey=MCJLSEAFHUEQLF-UHFFFAOYSA-O InChI=1S/C24H26F3N5/c1-30(2)23-28-20(24(25,26)27)17-21(29-23)31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,22H,13-16H2,1-2H3/p+1 InChI=1/C24H26F3N5/c1-30(2)23-28-20(24(25,26)27)17-21(29-23)31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,22H,13-16H2,1-2H3/p+1/fC24H27F3N5/h32H/q+1 CN(C)c1nc(cc(n1)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4)C(F)(F)F C01[X(C24H27F3N5)] 171 C01 534 CN(c1nc(cc(n1)C(F)(F)F)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)C C[N]([C]1[N][C]([CH][C]([N]1)C(F)(F)F)N1CC[NH](CC1)C([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)C CN(C)[C]1[N][C]([CH][C]([N]1)C(F)(F)F)N2CC[NH](CC2)C([C]3[CH][CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH][CH]4 InChIKey=LLZHCKJNMQCHMV-UHFFFAOYSA-N InChI=1S/C24H27F3N5/c1-30(2)23-28-20(24(25,26)27)17-21(29-23)31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,22,32H,13-16H2,1-2H3 InChI=1/C24H27F3N5/c1-30(2)23-28-20(24(25,26)27)17-21(29-23)31-13-15-32(16-14-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,22,32H,13-16H2,1-2H3 3173.0451598885 -1494.949183 1-A 20462.5186 116 418 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.40979 -26.40222 -26.40218 -15.84182 -15.71183 -15.66763 -15.64426 -15.63644 -11.57367 -11.44717 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0.8568 0.8385 0.8516 0.3439 0.4356 0.1028 0.8056 0.0941 0.6459 0.3906 0.6726 0.6377 0.7315 0.6290 0.5223 0.5166 0.1453 0.5031 0.2849 0.8230 0.8483 0.7955 0.8421 0.6944 0.7847 0.8330 0.8530 0.5642 0.2445 0.6620 0.0442 0.6472 0.2554 0.4116 0.2638 0.1702 0.8539 0.7765 0.8350 0.5920 0.8438 0.8524 0.7075 0.7918 0.7211 0.8207 0.8390 0.8566 0.1459 0.7818 0.8531 0.0758 0.8565 0.8546 0.8404 0.5095 0.8288 0.6881 0.7908 0.6867 0.8169 0.7717 0.8571 0.7356 0.5894 0.8550 0.8537 0.6776 0.7869 0.6746 0.7339 0.8194 0.7708 0.7189 0.6770 0.8571 0.7092 0.3477 0.4695 0.8453 0.7238 0.8362 0.8541 0.8556 0.8569 0.8563 0.8213 0.7851 0.8539 0.8513 0.8084 0.8000 0.8561 0.8539 0.6146 0.8460 0.8568 0.8411 0.8380 0.7981 0.6290 0.8526 0.2605 0.3299 0.0313 0.8472 0.8057 0.7638 0.0431 0.0766 0.7059 0.6536 0.4592 0.6261 0.5911 0.8361 0.3240 0.5436 0.8570 0.7576 0.7488 0.8569 0.7862 0.8571 0.7018 0.0658 0.3019 0.2271 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 7 6 6 7 6 6 6 7 7 6 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 9 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 8204.9801 30753.3035 37267.2665 0.99978 0.02112 -0.00014 -0.02112 0.99978 0.00038 0.00015 -0.00038 1.00000 1 0.01056 0.00282 0.00232 0.21996 0.05868 0.04843 10.43 24.96 34.79 37.93 38.43 58.73 65.40 78.90 93.43 104.67 129.18 140.91 170.04 187.40 199.00 227.18 273.47 283.94 286.94 351.01 354.51 395.84 412.02 421.85 431.40 458.37 488.91 512.81 523.40 534.29 552.37 647.13 655.08 668.22 706.22 725.38 741.04 772.20 789.69 825.36 853.37 888.63 912.35 954.13 972.23 976.02 998.80 1009.37 1026.89 1112.42 1121.66 1129.37 1140.51 1156.58 1198.78 1215.72 1254.13 1267.26 1303.88 1307.81 1331.24 1335.34 1349.50 1362.64 1367.54 1376.07 1442.79 1490.93 1509.15 1511.78 1523.62 1561.06 1566.02 1570.04 1593.31 1596.50 1622.34 1626.79 1627.90 1641.09 1648.58 1649.62 1657.91 1680.55 1701.39 1713.56 1717.18 1724.15 1743.85 1755.01 1779.29 1789.26 1825.45 1839.92 1858.06 1881.69 1883.06 1886.14 1893.64 1904.53 1926.10 1933.97 1949.04 1978.04 1985.31 2007.68 2021.24 2022.74 2053.97 2076.59 2077.83 2123.72 2137.06 2148.74 2167.91 2179.90 2212.59 2243.16 2252.05 2262.50 2274.08 2292.91 2294.43 2313.61 2333.74 2337.40 2346.52 2355.07 2358.50 2365.62 2372.21 2372.47 2377.89 2383.32 2393.29 2404.60 2408.14 2489.96 2556.08 2567.14 2570.88 2594.65 2595.11 2600.17 4544.19 4552.92 4626.80 4640.69 4706.97 4725.95 4729.62 4734.17 4745.48 4782.17 4805.08 4827.83 4832.95 4840.02 4848.18 4849.36 4851.11 4856.33 4866.49 4871.01 4881.40 4881.49 4884.15 4898.90 4899.35 5008.18 5331.57 0.524885 0.552127 0.553071 0.460759 -1494.424298 -1494.397056 -1494.396112 -1494.488424 3.096160D-04 MUNgauss RevisionA2.0 retrievium 17-Jan-2021 DUDE CN(C)c1nc(cc(n1)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4)C(F)(F)F C03116834 RHF 6-31G(d) (6D,10F) C1 442.221856 |X|Y|Z| 125.313343 64.227653 25.174906 58.734833 25 6 7 21 4 |36.858105| |13.092120|53.358707| |7.675445|17.869672|36.858105| |7.775555|19.356851|7.872904|36.858105| |6.896767|11.278626|5.241703|14.306983|53.358707| |4.680116|7.475307|4.088761|8.504696|19.814627|36.858105| |3.829694|6.440756|3.884536|7.091130|10.885294|13.856538|36.858105| |4.030658|7.447565|4.776889|8.364222|9.554596|8.166245|13.595547|36.858105| |5.223535|11.355938|7.116544|14.223712|10.981403|7.156536|8.035861|14.517914|53.358707| |3.213698|5.668766|4.026820|5.401631|6.322287|5.237638|7.798603|13.709749|11.310688|53.358707| |3.087807|5.490225|4.296812|4.752151|5.268555|4.000158|5.095477|7.810353|9.698524|17.913197|36.858105| |2.540620|4.284179|3.383406|3.544741|4.143077|3.174832|3.918815|5.166956|6.410867|10.640892|12.549550|36.858105| |2.219736|3.625223|2.760271|3.026231|3.714259|2.945022|3.682933|4.459058|5.213290|8.993005|7.645693|12.660168|53.358707| |2.181005|3.548526|2.707087|2.942501|3.617220|2.855208|3.530663|4.233776|5.019227|8.182997|7.158748|9.304336|25.720889|0.500000| |2.279256|3.700671|2.698420|3.204623|4.073341|3.388206|4.472076|5.130250|5.482114|10.617000|6.651606|7.792835|17.274652|0.259634|36.858105| |2.658246|4.416246|3.113963|4.031016|5.140075|4.457990|6.532129|7.724329|7.192006|17.953621|7.918550|6.661275|10.404372|0.198893|12.520951|36.858105| |1.915778|3.047222|2.335937|2.473411|3.084821|2.417601|2.898318|3.336276|4.064403|5.990728|4.922326|7.540723|16.900148|0.255600|7.504314|4.908101|36.858105| |1.725458|2.693074|2.024199|2.190038|2.804565|2.229065|2.651987|2.908727|3.500527|4.995811|3.800387|4.928945|10.280336|0.191475|6.510660|4.382582|12.527746|36.858105| |1.629031|2.512134|1.867325|2.042356|2.656289|2.124063|2.502124|2.667041|3.205500|4.429333|3.226930|4.012455|7.387624|0.133522|5.473847|3.839805|7.612637|13.717373|36.858105| |1.487561|2.263039|1.668024|1.832117|2.417793|1.938247|2.248532|2.335003|2.820100|3.747154|2.686859|3.156986|5.520969|0.105943|4.249711|3.255049|5.026072|7.897942|13.736602|36.858105| |1.434202|2.174182|1.602242|1.754457|2.320103|1.856415|2.141029|2.215158|2.687400|3.523498|2.545925|2.914483|5.100451|0.103552|3.849029|3.085375|4.423828|6.837199|7.943398|13.773944|36.858105| |1.498167|2.287459|1.697367|1.844790|2.416246|1.924847|2.232223|2.347196|2.853172|3.788222|2.799682|3.213140|5.814323|0.124610|4.163163|3.346681|4.987532|7.909692|6.890624|7.948118|13.727843|36.858105| |1.641215|2.542567|1.906635|2.057018|2.650461|2.103093|2.474970|2.679958|3.248996|4.486760|3.420545|4.120454|8.106449|0.177626|5.270495|3.979760|7.457717|13.678379|7.950908|6.875259|7.930279|13.775876|36.858105| |1.830286|2.895207|2.276338|2.286223|2.817566|2.153836|2.505668|2.903463|3.705554|4.976539|4.371274|6.396332|10.311071|0.197099|4.922927|3.806456|12.519101|7.437648|5.255095|3.968048|3.705209|4.275198|6.035449|36.858105| |1.721313|2.690981|2.130247|2.091455|2.584310|1.954651|2.228743|2.551111|3.323755|4.206907|3.613994|5.004825|7.098976|0.132185|3.876742|3.117901|7.639494|5.530073|4.592114|3.581658|3.261010|3.549713|4.526994|13.723389|36.858105| |1.619559|2.506117|2.005476|1.913101|2.362273|1.764241|1.974295|2.245299|2.989829|3.588876|3.090778|3.966414|5.386039|0.105813|3.084573|2.619601|5.035137|4.096937|3.526829|2.946576|2.778784|3.032344|3.679365|7.901774|13.743328|36.858105| |1.610265|2.489171|2.003505|1.888431|2.325637|1.728325|1.924810|2.192240|2.942844|3.477590|3.035871|3.734651|5.081616|0.105395|2.903210|2.540502|4.421405|3.723096|3.121983|2.686655|2.631793|2.962238|3.582394|6.831662|7.938143|13.769549|36.858105| |1.699401|2.649947|2.125668|2.029179|2.492050|1.861748|2.095091|2.404801|3.200045|3.877578|3.448609|4.223075|5.948474|0.130818|3.272007|2.873831|4.975708|4.166111|3.304448|2.835385|2.845905|3.342568|4.200625|7.901585|6.889874|7.954808|13.740216|36.858105| |1.816027|2.867635|2.272610|2.242880|2.753916|2.087596|2.404270|2.788509|3.614322|4.686113|4.216016|5.534674|8.542467|0.194238|4.264357|3.570183|7.426328|5.706547|4.132849|3.389714|3.374352|4.083570|5.631858|13.680046|7.958779|6.885230|7.933665|13.767693|36.858105| |3.877262|5.546946|3.178342|5.284883|10.910373|12.549699|7.578250|5.073346|6.205744|5.237716|3.080806|2.590042|3.383576|0.067303|2.870697|3.586134|2.108665|1.997355|1.937271|1.804901|1.737031|1.779656|1.903346|1.884270|1.726370|1.568591|1.536319|1.644477|1.827530|36.858105| |3.849299|5.255481|3.022836|4.707113|9.258271|8.160824|5.604029|4.212071|5.419861|4.508125|2.769104|2.331710|3.061197|0.061977|2.535623|3.128496|1.923017|1.833267|1.766415|1.660715|1.619225|1.670043|1.775167|1.745410|1.599467|1.469092|1.453458|1.560467|1.718076|14.490854|97.533100| |3.086022|4.483819|2.718334|4.151722|7.386558|8.109503|7.056402|4.649657|5.336363|5.150812|2.975813|2.567827|3.468829|0.068905|3.038115|3.779605|2.172264|2.099518|2.058490|1.936872|1.864546|1.894728|2.004959|1.910178|1.741400|1.570914|1.533271|1.644555|1.841948|14.389736|20.120897|97.533100| |3.862745|5.256071|3.026707|4.708656|9.265607|8.159830|5.599895|4.211322|5.417628|4.518983|2.743545|2.368961|3.065262|0.060319|2.564335|3.060784|1.951973|1.845874|1.812359|1.691505|1.615053|1.638286|1.745074|1.756259|1.633668|1.490637|1.450706|1.534529|1.690565|14.492839|20.101191|20.120710|97.533100| |17.574023|12.423718|6.960536|5.998983|7.322142|3.948869|3.341183|3.531140|6.068180|3.962334|2.864266|2.373963|2.845538|0.057743|2.120068|2.455015|1.814914|1.641596|1.542590|1.415190|1.374468|1.442638|1.576710|1.754152|1.649367|1.566466|1.572451|1.663547|1.761892|3.381927|7.851125|6.218400|7.437891|0.500000| |17.726311|12.436667|5.621891|7.478727|11.274479|5.360035|4.077585|4.023183|6.687433|4.284345|2.919200|2.415858|2.932439|0.058802|2.256952|2.657794|1.860017|1.695584|1.611512|1.481012|1.429229|1.486425|1.616683|1.757449|1.647691|1.542941|1.530417|1.617877|1.738060|4.620520|10.557449|7.895524|10.536579|0.300880|0.500000| |17.559708|12.387369|6.878149|6.085466|7.471136|4.016661|3.386913|3.570723|6.124532|4.001907|2.855492|2.416325|2.862579|0.056892|2.148468|2.447807|1.842508|1.656629|1.575157|1.437807|1.378913|1.432039|1.566042|1.768003|1.683491|1.589499|1.570454|1.639320|1.741097|3.437094|7.509070|6.305512|8.030400|0.300350|0.300803|0.500000| |7.707256|12.577909|17.636844|5.789207|5.946550|3.460792|3.233033|3.774098|6.941180|4.463581|3.492870|2.885451|3.277593|0.065929|2.344594|2.648652|2.087173|1.828624|1.696991|1.528736|1.473421|1.556488|1.733498|2.059854|1.952182|1.864319|1.870563|1.966588|2.067733|2.828399|6.183031|5.470458|6.178652|0.217639|0.150157|0.208180|0.500000| |5.992024|12.310383|17.573038|6.887343|6.471017|3.890910|3.831037|4.828220|9.535698|5.751022|4.608311|3.716456|3.994200|0.078290|2.841687|3.203104|2.496765|2.128332|1.969460|1.741439|1.655424|1.745647|1.973413|2.432425|2.300655|2.153098|2.121443|2.225655|2.386081|3.033762|6.315371|5.946964|6.606222|0.145341|0.131362|0.165408|0.301260|0.500000| |5.891109|12.331667|17.597060|6.959170|6.489059|3.911388|3.868735|4.911734|9.795770|5.837655|4.825456|3.665298|4.042797|0.082484|2.844063|3.311106|2.475464|2.132914|1.937036|1.726310|1.671127|1.791365|2.027914|2.436681|2.246325|2.120351|2.149146|2.316784|2.479994|3.040154|6.592886|5.965657|6.333801|0.161492|0.130624|0.142007|0.301340|0.300770|0.500000| |3.173061|5.093196|3.202268|5.078063|7.784495|8.951418|17.872144|8.691274|7.729205|9.375235|4.551205|3.733684|5.068536|0.098962|4.805344|7.051342|2.959032|2.787145|2.665600|2.419139|2.301589|2.378247|2.605798|2.502254|2.215020|1.947695|1.891258|2.060658|2.383182|6.997440|11.738267|18.143413|11.745844|0.078635|0.094000|0.079648|0.076144|0.088613|0.089323|0.500000| |2.979862|5.215117|4.109994|4.397280|4.944116|3.721322|4.593002|6.508468|8.413337|12.317815|17.450748|8.852498|9.297966|0.208246|5.756373|6.994277|4.549668|3.651607|3.035974|2.580990|2.513576|2.830219|3.458607|4.239996|3.433214|3.017052|3.077893|3.624506|4.411567|2.924636|6.096124|6.361460|5.785734|0.078783|0.078243|0.075456|0.094504|0.116363|0.134814|0.115481|0.500000| |3.490811|6.473110|5.409254|5.398773|5.600368|4.016334|4.810868|7.432645|11.402673|12.516533|17.709583|8.995134|7.607128|0.145189|4.985145|5.722600|4.107666|3.225424|2.821158|2.382381|2.251001|2.439841|2.913038|3.846397|3.358459|2.956100|2.899053|3.199845|3.720647|3.053959|6.191886|6.439725|6.242343|0.089138|0.089044|0.090271|0.117279|0.169645|0.169715|0.114640|0.303265|0.500000| |2.405938|4.007422|3.272218|3.188252|3.712348|2.777033|3.289880|4.203561|5.552351|7.686547|8.852143|17.686598|12.321643|0.222724|5.649273|4.970550|7.056066|4.598018|3.695962|2.951134|2.765842|3.087372|3.968163|7.471866|5.832883|4.724097|4.535086|5.203425|6.785780|2.304602|4.752869|5.101233|4.786821|0.063373|0.062851|0.063966|0.078969|0.099791|0.099913|0.086705|0.215502|0.213599|0.500000| |2.525708|4.224052|3.309526|3.488334|4.114582|3.154477|3.857332|4.959272|6.177018|9.567404|8.840170|17.625505|12.431588|0.181965|7.150249|5.892824|6.982017|4.669598|4.066430|3.162098|2.827370|3.006971|3.744588|5.724939|4.958520|3.867316|3.473205|3.710780|4.629563|2.589801|5.165239|5.780521|5.434098|0.064696|0.066850|0.067818|0.078778|0.103945|0.095929|0.102444|0.173298|0.215737|0.300457|0.500000| |2.056018|3.265582|2.366657|2.789825|3.631842|3.033510|3.883186|4.177075|4.583564|7.686064|4.972611|5.646787|12.331206|0.224196|17.689889|8.857062|6.979551|7.573153|6.410636|5.114197|4.710037|5.123031|6.392052|4.620941|3.647698|2.934760|2.783334|3.148746|4.082368|2.667561|5.377027|6.490607|5.363860|0.053593|0.056989|0.053882|0.058040|0.068341|0.069212|0.119727|0.129199|0.109408|0.126618|0.145277|0.500000| |2.267149|3.659308|2.659623|3.159309|4.040889|3.357171|4.369185|4.914592|5.326774|9.514658|5.860568|7.125527|12.428080|0.182230|17.626580|8.831640|6.956617|5.943937|5.609831|4.259461|3.652875|3.740140|4.543710|4.601764|3.860079|3.040845|2.778085|3.018572|3.810337|2.865336|5.593251|6.826203|5.893196|0.057970|0.062437|0.060139|0.064371|0.079233|0.076135|0.130344|0.133688|0.131673|0.145134|0.217233|0.300589|0.500000| |2.612832|4.241231|2.894354|3.923722|5.299705|4.881225|7.471613|7.205211|6.589879|12.411532|5.699594|4.997640|7.645709|0.145774|9.093171|17.695297|4.116509|3.899938|3.624317|3.176378|2.994503|3.144689|3.566995|3.235270|2.742432|2.331247|2.247739|2.495614|3.018360|4.054845|7.727405|10.148893|7.665664|0.066518|0.074120|0.066937|0.069136|0.082180|0.083482|0.267401|0.142259|0.127702|0.109500|0.132613|0.216449|0.218417|0.500000| |2.565286|4.217322|2.988991|3.773400|4.833587|4.118437|5.673097|6.459066|6.525257|12.321602|6.977782|5.742371|9.267555|0.207499|8.846489|17.450477|4.528784|4.200245|3.574033|3.119689|3.079794|3.454815|4.091457|3.680008|2.968762|2.544822|2.532372|2.932497|3.638209|3.390723|6.924883|8.022424|6.418667|0.067053|0.071257|0.064921|0.071334|0.083274|0.090381|0.167740|0.203876|0.142644|0.128625|0.133871|0.216447|0.173300|0.303264|0.500000| |1.929732|3.063100|2.343756|2.484513|3.103881|2.429718|2.899938|3.322888|4.062481|5.873573|4.682791|7.182133|12.526124|0.182758|6.947367|4.616560|17.638478|8.990147|7.543933|4.870709|4.027666|4.208089|5.590110|8.976225|7.480571|4.852137|4.022786|4.212707|5.606622|2.121922|4.306509|4.911549|4.477236|0.050362|0.052046|0.052037|0.058194|0.070653|0.067831|0.082096|0.114319|0.112762|0.180044|0.220109|0.171321|0.211573|0.111341|0.112798|0.500000| |1.661342|2.562404|1.905288|2.081832|2.704492|2.157588|2.534681|2.706222|3.264177|4.469261|3.234202|4.070812|7.029396|0.121258|5.304344|3.747699|7.089033|8.894509|17.701555|8.943992|5.656702|4.959989|5.643126|4.961699|4.633927|3.514389|3.017284|3.099574|3.788776|1.964168|3.991935|4.678642|4.179059|0.043430|0.045606|0.044922|0.048066|0.056404|0.054361|0.074642|0.082267|0.079832|0.103061|0.121011|0.158936|0.166231|0.099397|0.093693|0.234901|0.500000| |1.421891|2.145955|1.574395|1.732279|2.303749|1.846483|2.118944|2.171855|2.635922|3.415180|2.422242|2.798493|4.675356|0.089057|3.668738|2.911484|4.108556|5.633670|8.924619|17.732656|8.915561|5.647402|4.954431|3.357746|3.156384|2.651481|2.403470|2.486081|2.889469|1.739152|3.594400|4.213478|3.702312|0.037511|0.039448|0.038353|0.040259|0.045709|0.044902|0.063459|0.064187|0.060599|0.072710|0.079400|0.118421|0.105679|0.080661|0.076765|0.116011|0.216456|0.500000| |1.341526|2.015484|1.479053|1.619492|2.158551|1.725132|1.965011|2.006776|2.449989|3.125619|2.244312|2.510237|4.233694|0.086544|3.229096|2.702048|3.540600|4.934599|5.647357|8.920342|17.732919|8.908695|5.645001|3.080898|2.783427|2.440998|2.334013|2.498381|2.872149|1.634830|3.449987|3.960955|3.432606|0.035805|0.037261|0.035868|0.037998|0.042263|0.042716|0.058760|0.061830|0.055795|0.066532|0.067952|0.107150|0.085964|0.074059|0.075406|0.091539|0.124368|0.214684|0.500000| |1.437907|2.182397|1.618247|1.750634|2.300369|1.825193|2.093770|2.188169|2.683032|3.468719|2.571889|2.866849|4.995385|0.110221|3.567969|3.028136|4.068252|5.637430|4.962244|5.650871|8.907181|17.731064|8.942271|3.697648|3.116331|2.763869|2.778956|3.164678|3.733675|1.698859|3.626460|4.062718|3.511042|0.038696|0.039670|0.038087|0.041429|0.045864|0.047606|0.061752|0.073579|0.062781|0.077492|0.073873|0.118580|0.088585|0.079425|0.089030|0.096478|0.107662|0.124130|0.214765|0.500000| |1.680839|2.614279|1.977025|2.103735|2.686121|2.112571|2.476381|2.720158|3.336492|4.555342|3.592994|4.259179|8.190186|0.200171|4.954965|3.967190|6.839153|8.848970|5.638018|4.954863|5.659947|8.989687|17.728660|6.315725|4.517172|3.801542|3.902238|4.893917|6.817849|1.897397|4.017633|4.451941|3.892332|0.045144|0.045774|0.044344|0.049930|0.056482|0.059142|0.071432|0.104783|0.084545|0.117622|0.103112|0.157218|0.115165|0.096258|0.117931|0.138972|0.123692|0.107579|0.124571|0.217777|0.500000| |1.700192|2.646410|2.077530|2.063231|2.566814|1.948865|2.219862|2.515883|3.259793|4.118216|3.423630|4.701368|6.614997|0.117955|3.839790|3.048666|7.132840|5.374377|4.887001|3.738252|3.256704|3.388317|4.174838|8.902076|17.707383|8.943420|5.654207|4.960047|5.647760|1.729587|3.578535|3.938756|3.712398|0.044951|0.045365|0.046481|0.052916|0.062818|0.059979|0.061583|0.087876|0.089281|0.142509|0.139188|0.100153|0.111335|0.075855|0.078821|0.231065|0.146810|0.093555|0.077432|0.081596|0.110266|0.500000| |1.537896|2.357606|1.885374|1.786373|2.216074|1.648251|1.825255|2.055612|2.756027|3.224744|2.724035|3.393342|4.535564|0.088274|2.714066|2.337322|4.117938|3.491911|3.161553|2.699306|2.524901|2.682953|3.137868|5.636653|8.931398|17.733243|8.916496|5.651018|4.959617|1.475893|3.111713|3.320357|3.181975|0.041317|0.040698|0.042230|0.049108|0.056399|0.054792|0.049993|0.073230|0.073684|0.108874|0.094749|0.071944|0.075726|0.058693|0.062700|0.115504|0.089421|0.069002|0.062573|0.068356|0.088279|0.216525|0.500000| |1.523760|2.332565|1.882409|1.750934|2.162851|1.596913|1.756898|1.984278|2.691188|3.083706|2.657695|3.141281|4.218607|0.087844|2.500914|2.239056|3.539189|3.095011|2.676432|2.364492|2.335439|2.597708|3.032058|4.931844|5.645169|8.916249|17.734677|8.911739|5.645746|1.428817|3.059883|3.197734|3.048446|0.041571|0.040171|0.041414|0.049371|0.055100|0.055951|0.047837|0.075261|0.071668|0.103599|0.082081|0.066941|0.066836|0.055689|0.062272|0.091452|0.072218|0.059623|0.058548|0.068889|0.091225|0.124329|0.214641|0.500000| |1.665079|2.581564|2.072589|1.963243|2.415790|1.796319|2.003385|2.285218|3.065514|3.617780|3.191432|3.686748|5.157820|0.116691|2.948599|2.679482|4.058812|3.567709|2.886689|2.550798|2.615677|3.090495|3.753074|5.634544|4.961823|5.652488|8.908543|17.730751|8.939803|1.593070|3.434172|3.574496|3.335562|0.045670|0.044012|0.044444|0.053639|0.059487|0.063259|0.054599|0.095897|0.082875|0.122853|0.089527|0.079521|0.074913|0.065044|0.077490|0.096665|0.074855|0.062596|0.064836|0.083796|0.123982|0.107662|0.124154|0.214708|0.500000| 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