Version2.0 2019-11-15T00:55:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc2=C[C@H](C(=O)[NH+]=c12)[C@H]([C@@H]3N=NNN3C4CCCC4)[NH+](Cc5ccco5)C[C@@H]6CCCO6 C39710923 RHF 6-31G(d) (6D,7F) Cc1cccc2=C[C@H](C(=O)[NH+]=c12)[C@H]([C@@H]3N=NNN3C4CCCC4)[NH+](Cc5ccco5)C[C@@H]6CCCO6 C01[X(C27H36N6O3)] 210 C1 612 O=C1[NH+]=c2c(=C[C@H]1[C@H]([C@@H]1N=NNN1C1CCCC1)[NH+](Cc1ccco1)C[C@@H]1CCCO1)cccc2C O=C1[NH+]=c2c(=C[C@H]1[C@H]([C@@H]1N=NNN1C1CCCC1)[NH+](Cc1ccco1)C[C@@H]1CCCO1)cccc2C CC1=CC=CC2=C[C@@H]([C@H]([C@@H]3N=NNN3C4CCCC4)[NH+](C[C@@H]5CCCO5)Cc6occc6)C(=O)[NH+]=C12 InChIKey=IWRKNEBTTTZTMO-IHBRBHLJSA-P InChI=1S/C27H34N6O3/c1-18-7-4-8-19-15-23(27(34)28-24(18)19)25(26-29-30-31-33(26)20-9-2-3-10-20)32(16-21-11-5-13-35-21)17-22-12-6-14-36-22/h4-5,7-8,11,13,15,20,22-23,25-26H,2-3,6,9-10,12,14,16-17H2,1H3,(H,29,31)/p+2/t22-,23-,25+,26+/m0/s1 InChI=1/C27H34N6O3/c1-18-7-4-8-19-15-23(27(34)28-24(18)19)25(26-29-30-31-33(26)20-9-2-3-10-20)32(16-21-11-5-13-35-21)17-22-12-6-14-36-22/h4-5,7-8,11,13,15,20,22-23,25-26H,2-3,6,9-10,12,14,16-17H2,1H3,(H,29,31)/p+2/t22-,23-,25+,26+/m0/s1/fC27H36N6O3/h28,31-32H/q+2 Cc1cccc2=C[C@H](C(=O)[NH+]=c12)[C@H]([C@@H]3N=NNN3C4CCCC4)[NH+](Cc5ccco5)C[C@@H]6CCCO6 C01[X(C27H36N6O3)] 210 C01 612 O=C1[NH+]=c2c(=C[C@H]1[C@H]([C@@H]1N=NNN1C1CCCC1)[NH+](Cc1ccco1)C[C@@H]1CCCO1)cccc2C O=C1N[C@H]2[C@@H](C)CC=CC2=C[C@H]1[C@H]([C@@H]1N=NNN1C1CCCC1)[NH](Cc1ccco1)C[C@@H]1CCCO1 C[C@H]1CC=CC2=C[C@@H]([C@H]([C@@H]3N=NNN3C4CCCC4)[NH](C[C@@H]5CCCO5)Cc6occc6)C(=O)N[C@@H]12 InChIKey=PDCVRLNOJAATGL-FBJXPTRCSA-N InChI=1S/C27H39N6O3/c1-18-7-4-8-19-15-23(27(34)28-24(18)19)25(26-29-30-31-33(26)20-9-2-3-10-20)32(16-21-11-5-13-35-21)17-22-12-6-14-36-22/h4-5,8,11,13,15,18,20,22-26,32H,2-3,6-7,9-10,12,14,16-17H2,1H3,(H,28,34)(H,29,31)/t18-,22-,23-,24-,25+,26+/m0/s1 InChI=1/C27H39N6O3/c1-18-7-4-8-19-15-23(27(34)28-24(18)19)25(26-29-30-31-33(26)20-9-2-3-10-20)32(16-21-11-5-13-35-21)17-22-12-6-14-36-22/h4-5,8,11,13,15,18,20,22-26,32H,2-3,6-7,9-10,12,14,16-17H2,1H3,(H,28,34)(H,29,31)/t18-,22-,23-,24-,25+,26+/m0/s1/f/h28,31H 4185.9947850242 -1594.0374594 1-A 17529.3212 131 481 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.83548 -20.79889 -20.75797 -15.91824 -15.88726 -15.87726 -15.84663 -15.82667 -15.82206 -11.62085 -11.59373 -11.56732 -11.54686 -11.53540 -11.52936 -11.51837 -11.51771 -11.51183 -11.50987 -11.50371 -11.49266 -11.49221 -11.48944 -11.48113 -11.47407 -11.46417 -11.44898 -11.44129 -11.43341 -11.41514 -11.41486 -11.40752 -11.40159 -11.39841 -11.38582 -11.38526 -1.69345 -1.67470 -1.67276 -1.59037 -1.55194 -1.54946 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1.6292 1.7157 1.7423 2.9341 1.7617 1.8132 2.0935 1.7749 1.7872 1.9347 1.8373 1.8453 7.1892 8.6056 8.3162 11.5350 10.3717 17.3929 25.1100 6.4660 6.5141 6.5819 6.3132 6.5228 6.5504 6.5132 6.5485 6.6382 6.6395 6.8980 6.6742 6.9502 6.9629 7.0115 6.8780 6.9636 7.0944 6.8540 7.1063 7.0603 7.1426 7.2305 7.1550 7.3848 7.4812 7.4023 7.4202 7.4344 7.5835 7.6843 7.7406 7.9555 8.3785 9.2096 9.4545 0.1993 0.3452 0.9452 0.3204 0.8267 0.6638 0.8833 3.0726 1.2373 0.6165 0.6515 6.3385 0.3487 0.8389 3.1421 0.5910 0.5350 3.6716 1.3883 1.7257 2.0206 0.2959 1.5624 1.1083 3.9289 1.2483 5.2678 4.3180 6.5094 2.2321 17.7737 4.7794 3.1220 11.6301 4.9813 10.8020 3.9322 8.1861 1.5892 5.8789 14.6807 3.5921 12.6494 5.6499 5.3386 12.4204 25.3353 10.6286 5.4567 4.1683 10.8013 97.3814 44.3287 5.4022 14.3696 22.2116 17.7104 24.9272 2.4237 13.7833 89.0732 9.9478 9.1418 25.7098 55.1892 12.3604 13.9657 26.7186 33.9852 19.1363 6.7317 48.7311 7.3756 2.7779 1.8258 52.2131 18.6489 15.8436 16.7397 8.2322 1.9176 16.3640 12.6150 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14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 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 13707.3782 20129.6540 28401.7672 0.99998 -0.00001 0.00612 -0.00005 0.99995 0.01014 -0.00612 -0.01014 0.99993 1 0.00632 0.00430 0.00305 0.13166 0.08966 0.06354 11.64 21.17 29.41 38.49 45.85 50.80 56.47 73.85 81.54 88.02 110.87 125.07 128.40 161.84 178.91 190.65 202.57 211.58 246.50 259.98 266.32 286.90 290.71 316.05 335.12 346.83 388.33 413.64 455.38 465.21 490.51 512.76 529.42 568.21 634.85 641.30 669.63 689.11 716.84 749.97 768.62 786.42 821.20 824.75 850.26 866.56 917.17 933.86 941.74 962.74 967.34 981.75 991.74 1030.43 1046.40 1077.65 1087.33 1140.03 1153.19 1175.46 1197.12 1202.36 1229.23 1259.36 1265.66 1282.14 1297.25 1311.86 1316.45 1349.57 1362.31 1373.43 1382.00 1391.19 1393.03 1414.50 1432.88 1438.53 1448.20 1460.22 1483.70 1488.91 1492.68 1501.97 1508.96 1525.19 1537.88 1545.11 1549.83 1571.26 1575.75 1580.62 1593.96 1599.64 1615.58 1624.60 1633.78 1641.99 1661.48 1678.12 1700.04 1708.00 1711.32 1731.46 1735.44 1755.21 1761.55 1804.65 1812.89 1816.15 1821.63 1841.11 1843.63 1880.85 1898.41 1909.32 1921.90 1924.96 1928.17 1950.91 1953.78 1971.08 1979.30 1988.85 2003.46 2017.73 2022.96 2031.43 2057.88 2071.73 2080.48 2094.22 2102.10 2108.98 2115.27 2125.23 2135.51 2143.53 2145.48 2147.87 2151.22 2169.65 2187.72 2214.70 2224.53 2235.61 2237.28 2254.48 2255.22 2262.45 2277.21 2291.47 2295.56 2310.58 2331.21 2344.05 2350.81 2351.93 2354.57 2362.24 2368.69 2370.96 2372.68 2374.05 2380.19 2406.32 2424.60 2441.28 2512.59 2565.80 2616.19 2622.75 2655.92 2938.01 4587.17 4590.37 4613.50 4617.00 4631.62 4635.70 4639.80 4641.36 4675.77 4680.47 4690.96 4694.44 4702.37 4710.09 4732.94 4737.89 4741.30 4751.51 4755.66 4758.05 4774.50 4777.25 4784.06 4810.05 4845.35 4869.95 4879.71 4883.01 4888.78 4923.44 4958.48 4979.72 5022.60 5227.20 5476.07 5543.81 0.666808 0.697557 0.698501 0.598736 -1593.370651 -1593.339902 -1593.338958 -1593.438723 3.346134D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE Cc1cccc2=C[C@H](C(=O)[NH+]=c12)[C@H]([C@@H]3N=NNN3C4CCCC4)[NH+](Cc5ccco5)C[C@@H]6CCCO6 C39710923 RHF 6-31G(d) (6D,10F) C1 492.284851 |X|Y|Z| 98.490124 78.515910 40.794713 68.074545 34 6 7 8 26 6 2 |36.858105| |12.595608|36.858105| |7.543503|13.882593|36.858105| |4.919285|7.666660|13.300794|36.858105| |4.349667|6.642963|7.967702|14.222903|36.858105| |4.910256|7.671024|6.897266|7.886747|13.143269|36.858105| |3.840310|5.149062|4.636681|5.220837|7.793992|14.142454|36.858105| |3.636955|4.429642|3.753941|3.869739|4.956607|7.592555|12.741497|36.858105| |3.405981|4.052260|3.489781|3.594176|4.493496|6.357261|9.255536|17.466577|0.500000| |4.474404|5.138910|3.965712|3.746253|4.412304|6.637740|7.572639|12.506923|0.256851|36.858105| |3.913441|4.127556|3.274561|3.064831|3.469805|4.708800|5.265826|7.999542|0.192091|16.116927|73.516695| |6.612304|7.968086|5.281910|4.576004|5.127379|7.923277|6.912755|7.687521|0.180243|13.726396|15.167861|53.358707| |7.648557|7.393296|4.847539|4.004921|4.212176|5.743188|5.072437|5.667033|0.141007|9.468509|14.157007|25.892934|0.500000| |7.485422|13.539681|8.056174|6.756479|7.631987|13.133612|7.886163|6.580643|0.157444|7.807992|9.717944|19.287219|0.260335|36.858105| |2.913015|3.367034|2.970550|3.088817|3.806363|5.019885|7.304727|12.259764|0.244556|7.587696|12.052739|6.956549|0.118109|4.466971|36.858105| |2.935273|3.272425|2.828740|2.848984|3.378695|4.397905|5.703537|8.982748|0.191015|7.969568|14.985423|7.032963|0.124678|4.247949|17.690510|0.500000| |2.664888|3.112865|2.863856|3.075856|3.816099|4.673495|6.468932|7.254145|0.155134|5.259593|8.373663|5.657439|0.098355|3.956705|12.325827|0.251132|36.858105| |2.528049|2.999297|2.847384|3.167281|4.021129|4.685412|6.582712|6.384079|0.146851|4.488772|6.995859|5.100640|0.088568|3.751286|8.615464|0.174118|17.654944|0.500000| |2.276806|2.556602|2.366530|2.495475|2.952814|3.447373|4.332122|4.952771|0.116940|4.094353|7.123772|4.508909|0.082249|3.096002|7.900107|0.209034|12.925887|0.251285|53.358707| |2.302076|2.540241|2.333421|2.414573|2.790972|3.245999|3.872033|4.384002|0.102368|3.965756|7.110165|4.460172|0.083158|3.027010|6.294211|0.192267|8.748986|0.175884|21.285473|53.358707| |2.686303|2.994188|2.706885|2.770573|3.209299|3.827429|4.470271|4.966712|0.109723|4.709770|8.209590|5.360101|0.099048|3.623476|6.544444|0.206224|8.822529|0.171619|12.205367|19.150536|53.358707| |2.947467|3.465733|3.172565|3.366305|4.110119|5.020249|6.223243|6.283116|0.130513|5.318457|8.342050|6.127633|0.107196|4.372845|7.801655|0.203090|13.235065|0.252166|11.242291|11.496930|18.301230|53.358707| |2.715340|3.218300|3.114144|3.433781|4.141447|4.529981|5.146209|4.569639|0.102735|3.955208|6.228133|4.986039|0.089226|3.825157|5.073383|0.129964|7.726133|0.207786|8.170470|8.317061|10.643585|17.462236|36.858105| |2.885901|3.375334|3.308554|3.555772|4.020126|4.220492|4.283292|3.792498|0.087207|3.592826|5.723107|4.843459|0.089341|3.798360|3.904243|0.105715|4.988800|0.131414|5.775646|6.295355|8.326961|10.326234|12.379913|36.858105| |2.401076|2.742393|2.779716|3.026121|3.310199|3.283241|3.320078|2.965475|0.071191|2.791336|4.551294|3.774235|0.071066|2.964129|3.088602|0.083279|3.885315|0.107651|4.842289|5.200549|6.106458|6.871531|7.760161|12.295049|36.858105| |2.137545|2.444212|2.473289|2.740509|3.082360|3.067056|3.254551|2.932233|0.071280|2.650144|4.343793|3.472422|0.064824|2.693560|3.176132|0.083690|4.197119|0.121999|5.413012|5.591030|6.030628|6.841902|8.000234|7.712201|12.335185|36.858105| |2.231256|2.557776|2.510550|2.751555|3.195579|3.360720|3.777678|3.521124|0.083669|3.092146|5.085511|3.883038|0.071554|2.927856|4.075716|0.106537|6.012499|0.170744|7.945933|8.187167|8.585103|9.945172|12.411331|7.839451|7.819378|12.432553|36.858105| |2.459824|2.769876|2.500992|2.610245|3.135889|3.861499|5.217211|7.387406|0.207145|5.297287|9.206743|5.304988|0.094421|3.481648|12.615695|0.257208|7.632207|0.187621|9.254506|7.005488|6.393585|6.909648|3.854917|3.060981|2.577770|2.726822|3.411282|53.358707| |2.246416|2.497438|2.278698|2.377245|2.811952|3.358619|4.347107|5.634018|0.150112|4.426172|7.959974|4.612405|0.084002|3.059917|9.543404|0.231471|7.665065|0.183619|11.639044|8.219099|6.779751|6.860021|3.873330|3.045906|2.606225|2.807631|3.589422|25.613535|0.500000| |2.400309|2.606904|2.316088|2.345959|2.720860|3.326393|4.147074|5.870217|0.181180|5.061020|9.787132|5.084068|0.094191|3.201085|7.433837|0.204663|4.932104|0.122085|6.470797|5.550326|5.197059|5.262489|3.043019|2.571485|2.195251|2.269230|2.732142|16.745060|0.262428|36.858105| |2.421085|2.618053|2.331303|2.351653|2.702006|3.267947|3.949066|5.304386|0.186637|4.687592|8.706237|4.977315|0.092815|3.174086|5.439669|0.142927|3.884586|0.101755|4.881390|4.294265|4.173931|4.365021|2.638818|2.287662|1.975524|2.024888|2.361940|10.056276|0.160533|12.860128|36.858105| |2.127019|2.269031|2.058606|2.080161|2.345820|2.729868|3.177788|3.915866|0.131931|3.561926|6.577578|4.039738|0.077028|2.655775|3.987580|0.105782|3.122390|0.084039|4.045094|3.602852|3.465768|3.592379|2.252765|1.981062|1.748270|1.800399|2.064005|7.063075|0.124317|7.424559|14.208688|36.858105| |2.201510|2.331852|2.117835|2.122424|2.361182|2.720814|3.062147|3.634988|0.124805|3.408817|6.155980|4.040934|0.077752|2.686512|3.430713|0.090827|2.744270|0.074714|3.469318|3.145338|3.105401|3.262864|2.081976|1.865479|1.650260|1.680524|1.891229|5.535960|0.097491|5.165810|8.563066|13.245710|36.858105| |2.597081|2.771891|2.468240|2.448189|2.739832|3.247214|3.639317|4.416660|0.160616|4.211427|7.426499|4.983624|0.094799|3.257212|3.860812|0.101510|2.990003|0.080795|3.647890|3.323068|3.365554|3.596849|2.268172|2.040429|1.777197|1.788355|2.012321|5.885256|0.100018|5.328245|8.751194|8.608314|14.248982|36.858105| |2.821467|3.068310|2.677280|2.663544|3.060049|3.803213|4.501004|6.116992|0.241988|5.635578|9.968671|6.049981|0.111390|3.785976|5.266801|0.137079|3.740265|0.098496|4.459184|4.010193|4.077960|4.383711|2.660958|2.348858|2.005101|2.018418|2.319366|8.111962|0.128996|7.793131|14.046314|8.614234|8.601204|14.082822|73.516695| |2.277006|2.601664|2.426389|2.608390|3.168881|3.719225|5.006191|5.955119|0.182696|4.205463|6.949218|4.594390|0.081699|3.201635|7.397645|0.154220|6.091838|0.183137|7.221314|5.511335|5.081086|5.772095|3.545499|2.814626|2.446001|2.645741|3.221277|17.094578|0.261307|7.385363|6.402520|5.117081|4.134026|4.264073|9.561966|36.858105| |1.940302|2.177436|2.065153|2.220160|2.625441|2.942768|3.707414|4.136406|0.120058|3.224233|5.514955|3.666175|0.067031|2.583411|5.191439|0.120486|5.017930|0.153234|6.916652|5.257462|4.575151|4.955300|3.203110|2.558054|2.305597|2.565754|3.117451|10.441288|0.225891|5.569068|4.776216|4.293584|3.454126|3.362930|6.992417|12.500899|36.858105| |1.916539|2.157949|2.059513|2.228174|2.640091|2.930003|3.682242|3.992038|0.109896|3.131233|5.336283|3.588945|0.065622|2.552163|5.205815|0.121442|5.689644|0.180100|8.365943|6.042177|5.056824|5.476577|3.603629|2.795070|2.541233|2.907418|3.634899|9.303286|0.222233|4.782124|3.970551|3.529242|2.932445|2.914244|6.057984|8.883162|17.495483|0.500000| |1.763718|1.973013|1.905628|2.065318|2.408921|2.603761|3.152011|3.328078|0.098640|2.681959|4.557294|3.174178|0.058601|2.286002|3.788876|0.090698|3.727354|0.116167|5.022151|4.072353|3.660096|3.979806|2.701346|2.224802|2.056108|2.290074|2.666616|6.699003|0.137192|4.103035|3.931963|3.839625|3.248248|3.082168|6.007508|7.386775|12.487878|0.245327|36.858105| |1.574654|1.730366|1.668445|1.783662|2.036396|2.189855|2.577693|2.753524|0.080236|2.321597|4.046215|2.766519|0.051965|1.973312|3.171525|0.079559|3.151467|0.094291|4.514598|3.770059|3.321803|3.474391|2.374071|1.993216|1.870203|2.084430|2.408378|5.492019|0.119172|3.611980|3.401268|3.445244|2.889351|2.672310|5.119085|5.098360|8.092489|0.191445|12.427650|36.858105| |1.617858|1.758995|1.669152|1.756221|1.997558|2.196358|2.595157|2.895777|0.084549|2.481112|4.435059|2.896788|0.054757|2.018401|3.441279|0.088597|3.282744|0.093763|4.866904|4.080882|3.534471|3.591853|2.376583|2.003176|1.853119|2.035889|2.385649|6.293604|0.142059|4.395814|3.973995|4.055075|3.201533|2.901417|5.654217|5.337921|8.158642|0.184121|7.950317|12.441217|36.858105| |1.833104|2.011590|1.886214|1.984367|2.294384|2.588287|3.161421|3.670063|0.107079|3.039272|5.427947|3.433118|0.064040|2.360545|4.634724|0.116339|4.253435|0.119521|6.310044|5.035020|4.301014|4.402041|2.803806|2.307985|2.085646|2.283846|2.750945|9.626206|0.228139|6.239912|5.115052|4.790864|3.615752|3.372737|6.955673|8.106419|13.596263|0.259429|8.165080|8.057464|13.285939|73.516695| |17.624294|8.889823|7.265487|4.698874|3.933203|4.117860|3.275388|3.055498|0.080492|3.578837|5.693921|6.581749|0.148343|5.553404|2.521666|0.070210|2.356206|0.062876|2.779483|2.812004|3.240497|3.533476|2.457987|2.645201|2.260522|2.007627|2.057719|2.956305|0.055637|2.117687|2.143335|1.915435|1.990262|2.311517|4.377639|2.041893|1.766956|0.048599|1.626023|1.459993|1.490643|2.969244|0.500000| |17.547965|8.808645|5.868912|4.220291|3.891231|4.493255|3.675275|3.627267|0.097591|4.553085|7.245029|8.966659|0.224214|6.640671|2.884316|0.081037|2.565778|0.067529|3.008389|3.017825|3.460316|3.752766|2.498183|2.583866|2.172061|1.972632|2.081378|3.382000|0.062556|2.485401|2.561038|2.257965|2.376518|2.845356|5.417193|2.297174|1.947340|0.052828|1.774153|1.585729|1.638811|3.298641|0.303385|0.500000| |17.542657|8.805665|5.892228|4.230907|3.892779|4.480835|3.660672|3.577699|0.090846|4.555135|7.334440|8.900496|0.226982|6.605783|2.953834|0.084768|2.720758|0.070416|3.200190|3.298825|3.912050|4.191754|2.809989|3.048938|2.507375|2.200436|2.305456|3.353837|0.063187|2.409789|2.379331|2.079993|2.119160|2.471098|4.840494|2.236118|1.920245|0.053063|1.729011|1.556004|1.610165|3.250588|0.303475|0.300123|0.500000| |7.055523|9.060650|17.716356|8.860209|5.700732|4.964965|3.675027|3.109534|0.081551|3.309134|5.048166|5.783343|0.114099|5.703991|2.551443|0.068322|2.476677|0.068406|2.857704|2.838782|3.256118|3.717020|2.715740|2.930851|2.541085|2.254321|2.252099|2.987243|0.056157|2.060058|2.080759|1.865340|1.928221|2.219977|4.205515|2.135885|1.850318|0.051280|1.724567|1.526717|1.526127|3.031698|0.225719|0.152997|0.153919|0.500000| |4.059779|5.557736|8.790354|17.760902|9.026396|5.592723|4.189219|3.229571|0.084698|3.100167|4.650911|4.953732|0.091163|4.896892|2.686511|0.069073|2.723440|0.078874|3.078006|2.980377|3.364415|4.018385|3.100523|3.239579|2.884499|2.628548|2.569993|3.168050|0.059594|2.099519|2.108830|1.895538|1.936683|2.198246|4.183429|2.360283|2.052474|0.057416|1.940528|1.686894|1.645960|3.263825|0.113148|0.098678|0.098970|0.216145|0.500000| |3.492966|4.832939|5.629829|9.027795|17.732748|8.749101|7.108755|4.567252|0.117095|3.848422|5.535558|5.667426|0.097054|5.502261|3.707450|0.089515|3.870676|0.119054|4.082003|3.785472|4.246859|5.494916|4.251772|3.962311|3.385124|3.270814|3.358988|4.268479|0.078748|2.661933|2.633398|2.309618|2.305241|2.625545|5.180755|3.291530|2.762599|0.077810|2.571360|2.147976|2.068686|4.202415|0.089680|0.088951|0.088959|0.124572|0.214700|0.500000| |3.220973|4.175891|4.029099|4.806218|7.235210|9.150560|17.723181|8.615817|0.203932|5.450753|7.488188|6.769210|0.109557|5.624335|6.633251|0.139305|6.719640|0.221148|6.078561|5.221193|5.759699|8.133552|5.373593|4.225299|3.403723|3.484725|4.058513|7.059657|0.122506|3.928713|3.728865|3.079209|2.935428|3.375616|7.215461|5.504066|4.108397|0.115121|3.533039|2.807513|2.747731|5.932390|0.078939|0.085692|0.085450|0.091516|0.112869|0.219137|0.500000| |2.614821|2.867294|2.616733|2.653695|2.993514|3.459359|3.830718|4.075790|0.092801|4.044066|7.112616|4.869916|0.092411|3.349079|4.907280|0.152246|6.181957|0.135429|8.745748|13.098932|25.969700|12.545990|7.291786|6.731275|4.977536|4.661152|6.287388|5.133222|0.110453|3.209307|2.660177|2.257467|2.050719|2.213407|4.662446|3.127845|2.880739|0.088039|2.377157|2.189465|2.311742|4.862174|0.065087|0.067991|0.078799|0.065092|0.066445|0.080543|0.101017|0.500000| |2.768995|3.387099|3.369998|3.904055|4.954090|5.194316|5.988894|4.795483|0.109204|3.938736|6.006818|5.056163|0.088726|4.057434|5.000044|0.120997|7.272232|0.229696|7.149190|6.679401|7.859473|12.696384|17.534712|8.891891|6.577645|7.085999|8.912552|5.275986|0.105011|3.020789|2.685501|2.300253|2.146719|2.351476|4.875100|3.759407|3.335385|0.103328|2.863741|2.454540|2.406382|5.033414|0.069868|0.070780|0.077687|0.080504|0.097923|0.148990|0.188685|0.145714|0.500000| |3.318870|4.018496|4.015861|4.355163|4.870078|4.968245|4.684990|3.934274|0.090460|3.789914|5.861502|5.380328|0.098347|4.451479|3.780720|0.101275|4.530341|0.121541|5.049204|5.319753|6.904185|8.842858|8.738828|17.577114|8.614121|5.840773|5.692747|4.020528|0.079652|2.514319|2.285375|1.978890|1.890687|2.093333|4.262062|2.747103|2.447106|0.072831|2.154009|1.912655|1.915688|3.914793|0.084441|0.080530|0.096765|0.097178|0.108339|0.128972|0.125040|0.147609|0.224825|0.500000| |2.918073|3.293361|3.124726|3.210756|3.537568|3.850868|3.901155|3.669340|0.084304|3.656858|6.005809|4.900016|0.092620|3.681304|3.839839|0.109103|4.708937|0.117392|5.730296|6.666486|9.418976|9.856755|8.765105|17.548009|8.737408|5.988118|6.476181|4.086019|0.083713|2.580606|2.273245|1.964428|1.843960|2.014955|4.135978|2.679497|2.441411|0.073588|2.107971|1.913959|1.954734|4.006287|0.073869|0.072687|0.088052|0.077770|0.080828|0.094304|0.103289|0.240693|0.175635|0.304946|0.500000| |2.406126|2.763056|2.887048|3.191351|3.402484|3.227720|3.158087|2.755927|0.067123|2.605610|4.215812|3.610836|0.068217|2.907103|2.779505|0.074356|3.370525|0.095337|4.140144|4.335219|5.003599|5.708177|5.961141|8.674386|17.601334|8.707352|5.723780|3.201311|0.065255|2.026014|1.856024|1.655173|1.579662|1.704576|3.381242|2.271000|2.133993|0.064544|1.937117|1.757447|1.727308|3.424869|0.063845|0.059999|0.069081|0.074141|0.086506|0.097325|0.090234|0.110140|0.158665|0.222516|0.180899|0.500000| |2.261188|2.512673|2.517269|2.665319|2.851178|2.868335|2.891300|2.669719|0.064673|2.577589|4.295846|3.482338|0.066805|2.678388|2.807311|0.077539|3.437309|0.092922|4.475623|4.967042|5.768709|5.967244|5.940255|8.759993|17.594118|8.757937|6.373504|3.233714|0.067350|2.062617|1.852242|1.648294|1.554461|1.665301|3.325613|2.228694|2.122861|0.064748|1.896036|1.751122|1.750170|3.476403|0.059450|0.057019|0.066418|0.064897|0.070798|0.079729|0.080999|0.137106|0.137474|0.182415|0.229854|0.304558|0.500000| |2.111252|2.445729|2.525905|2.876865|3.261917|3.134896|3.313077|2.894085|0.071270|2.567458|4.155772|3.393190|0.062911|2.684162|3.064128|0.078930|3.982167|0.121712|4.970000|4.901518|5.206365|6.159003|6.894204|6.326451|8.753064|17.544227|8.835723|3.634410|0.075397|2.213283|2.004696|1.792550|1.683952|1.792275|3.570338|2.671946|2.590911|0.081251|2.357407|2.120064|2.033575|4.029634|0.055375|0.054191|0.059490|0.063893|0.077800|0.099376|0.101508|0.107545|0.201498|0.149700|0.134898|0.223446|0.175760|0.500000| |1.921212|2.155819|2.178570|2.381091|2.626123|2.613797|2.761915|2.550217|0.063038|2.337306|3.898698|3.059155|0.057876|2.344234|2.782146|0.074361|3.562207|0.102408|4.840092|5.062468|5.238351|5.561482|5.688591|5.655815|8.659094|17.608990|8.714361|3.344967|0.071115|2.081020|1.860544|1.672662|1.559636|1.644177|3.270676|2.389882|2.370383|0.074645|2.140150|1.986362|1.939329|3.807528|0.050492|0.049576|0.055053|0.055921|0.064088|0.076982|0.081545|0.114268|0.141642|0.125474|0.135915|0.190938|0.222122|0.303625|0.500000| |2.139052|2.396555|2.316852|2.474312|2.814039|3.012618|3.358590|3.282436|0.078379|2.980509|5.045953|3.708346|0.069483|2.723622|3.893392|0.106492|5.508097|0.144405|8.206809|9.546876|9.576712|9.125378|8.766371|6.815588|6.771608|8.829521|17.538674|4.487960|0.098662|2.702224|2.303867|2.017397|1.836485|1.942136|3.981070|3.016449|2.960399|0.095507|2.512306|2.323662|2.348463|4.798302|0.054781|0.055688|0.062170|0.058266|0.064126|0.080337|0.097025|0.211345|0.173923|0.137828|0.181727|0.137509|0.177231|0.174233|0.217448|0.500000| |2.085958|2.391039|2.353953|2.603276|3.054620|3.202388|3.704523|3.480972|0.084482|2.960635|4.881965|3.661242|0.067225|2.750239|4.133603|0.104870|6.213311|0.193003|8.584620|7.927760|7.426070|8.608874|8.635019|5.596794|5.598552|8.667292|17.571357|4.932598|0.107720|2.835737|2.444280|2.148163|1.950633|2.054244|4.201694|3.540794|3.547217|0.119440|3.025692|2.719744|2.648193|5.426448|0.053511|0.054707|0.059197|0.058707|0.067926|0.091095|0.114653|0.141837|0.215881|0.125691|0.133499|0.126676|0.132170|0.216860|0.198225|0.302407|0.500000| |2.119866|2.277289|2.054508|2.087657|2.390273|2.830858|3.436537|4.487561|0.133824|3.979538|7.712654|4.220892|0.079761|2.721003|5.714643|0.160690|4.332565|0.109367|6.169263|5.311685|4.757647|4.673469|2.785082|2.363953|2.061219|2.156361|2.589489|12.367956|0.252329|17.703563|9.131198|7.071669|4.711308|4.479434|10.219974|6.501734|5.799640|0.137036|4.265176|3.979676|5.254982|13.578050|0.052651|0.060722|0.059348|0.051368|0.052603|0.065697|0.093018|0.082985|0.076198|0.063481|0.066072|0.052772|0.054249|0.058300|0.055669|0.072020|0.075519|0.500000| |2.570949|2.746740|2.390101|2.373200|2.721974|3.384052|4.117017|6.031465|0.173133|5.855356|12.678817|5.628377|0.106137|3.386951|7.545816|0.249589|4.894600|0.115385|6.453564|5.876616|5.675978|5.520303|3.106818|2.675958|2.250963|2.283536|2.749140|12.274776|0.214499|17.651552|8.945818|5.818351|4.503069|4.858349|12.491959|5.541970|4.399567|0.111880|3.375471|3.044199|3.620267|8.540572|0.062353|0.074117|0.072863|0.059064|0.058592|0.072580|0.104189|0.097239|0.083792|0.072691|0.076141|0.057429|0.059228|0.061084|0.058129|0.076655|0.077440|0.300047|0.500000| |1.911864|2.029515|1.861075|1.888420|2.116816|2.420293|2.799275|3.362339|0.108217|3.066298|5.700505|3.523518|0.067716|2.343645|3.569135|0.095673|2.911489|0.078731|3.904961|3.479418|3.277962|3.346625|2.123661|1.866763|1.667688|1.732143|1.984761|6.403981|0.119780|6.442801|8.832491|17.791700|8.455459|5.859754|10.435775|4.719863|4.344408|0.098635|3.968401|3.752778|4.639082|9.271580|0.048250|0.055904|0.052268|0.047191|0.048251|0.058418|0.076630|0.059666|0.059876|0.051340|0.051497|0.043776|0.043890|0.047836|0.045074|0.054242|0.057795|0.198135|0.141724|0.500000| |2.018337|2.117703|1.947125|1.950484|2.139465|2.409548|2.654191|3.039441|0.100966|2.886340|5.200043|3.526329|0.068677|2.385168|2.882280|0.076761|2.388534|0.065580|3.052971|2.792305|2.753759|2.881164|1.871447|1.693601|1.515511|1.543560|1.717718|4.551493|0.082582|4.054838|5.841047|8.451783|17.812231|8.836207|10.428334|3.462038|3.027355|0.072289|2.953635|2.687144|2.932353|5.641364|0.051314|0.060545|0.053838|0.049795|0.049978|0.058274|0.071401|0.051089|0.053633|0.047718|0.046474|0.040505|0.039790|0.043083|0.040027|0.046384|0.049222|0.107087|0.100762|0.193502|0.500000| |2.797802|2.964610|2.631942|2.576144|2.836558|3.334081|3.583332|4.160243|0.147900|4.115241|7.079248|5.157547|0.099165|3.420220|3.478660|0.091816|2.764359|0.075083|3.335653|3.079285|3.173392|3.417934|2.184781|1.997737|1.740969|1.733882|1.925203|5.007437|0.086502|4.258784|6.020042|5.819786|8.629450|17.837851|16.436023|3.650413|2.926207|0.072071|2.727670|2.372074|2.519718|5.116489|0.069260|0.086872|0.072588|0.065967|0.064130|0.074495|0.091129|0.058605|0.063252|0.057633|0.054711|0.046767|0.045293|0.048431|0.044224|0.051424|0.054152|0.100994|0.112722|0.123200|0.195443|0.500000| |2.267226|2.568472|2.389544|2.545232|3.048378|3.560705|4.611718|5.489102|0.187074|4.060423|6.755937|4.510711|0.080910|3.130140|5.929271|0.132446|4.702750|0.137533|5.648359|4.588144|4.344950|4.856291|3.037703|2.506437|2.192979|2.331616|2.752386|12.284980|0.189274|7.427342|7.965507|6.542130|5.212289|5.273639|11.603679|17.696900|8.831673|0.173972|6.907345|4.851048|5.109898|12.586586|0.056561|0.064509|0.061194|0.058692|0.064084|0.087036|0.136061|0.076014|0.089639|0.069078|0.066696|0.057303|0.055876|0.065679|0.058938|0.072058|0.082454|0.178885|0.150073|0.159753|0.117685|0.120516|0.500000| |2.408358|2.827340|2.676212|2.957698|3.719019|4.335981|6.154284|6.545906|0.192234|4.332790|6.800210|4.861234|0.084640|3.521890|7.434764|0.147268|6.796217|0.232006|7.190238|5.500678|5.259013|6.393133|4.024758|3.116603|2.689612|2.927373|3.560520|12.197432|0.198310|5.602073|5.107140|4.177737|3.636750|3.895963|8.533563|17.638955|8.821502|0.217830|6.446982|4.424098|4.303167|10.290345|0.060012|0.066665|0.065185|0.064668|0.074041|0.110281|0.208388|0.090042|0.124209|0.085286|0.080364|0.069704|0.066802|0.083607|0.072133|0.089547|0.109416|0.135319|0.129131|0.105956|0.086376|0.096739|0.301527|0.500000| |1.789236|1.997435|1.926003|2.079179|2.414957|2.614149|3.136506|3.326079|0.102257|2.696945|4.573481|3.209700|0.059332|2.309560|3.616646|0.086942|3.396010|0.103968|4.441938|3.688216|3.397128|3.704621|2.498767|2.095665|1.925219|2.104786|2.414314|6.383423|0.123877|4.149723|4.277406|4.356556|3.731832|3.462851|6.555834|7.074445|8.822362|0.174054|17.542332|8.787045|6.766425|12.266615|0.045823|0.050434|0.048352|0.048454|0.054209|0.071157|0.096353|0.061560|0.073927|0.057130|0.055327|0.050808|0.049385|0.060270|0.054506|0.063232|0.074441|0.117797|0.093759|0.124431|0.094674|0.084320|0.217522|0.169920|0.500000| |1.745762|1.970250|1.930817|2.125230|2.488934|2.628037|3.156990|3.186957|0.092806|2.560026|4.283403|3.086521|0.056796|2.268119|3.547387|0.084390|3.655818|0.118502|4.825091|3.936245|3.579733|3.968152|2.781173|2.281440|2.135789|2.412503|2.775471|5.837007|0.118901|3.507595|3.372872|3.250757|2.864578|2.785368|5.390176|6.201069|8.693583|0.218330|17.599445|8.665792|5.685039|10.344636|0.044943|0.048410|0.047389|0.048562|0.055946|0.075292|0.101135|0.065106|0.083460|0.061417|0.059218|0.056230|0.054265|0.070183|0.062543|0.071358|0.088773|0.098514|0.082925|0.091292|0.073144|0.070126|0.157040|0.172234|0.300680|0.500000| |1.480201|1.617351|1.566803|1.671227|1.888026|2.009173|2.322574|2.455970|0.072187|2.106548|3.675466|2.546258|0.048144|1.823928|2.741057|0.069537|2.697375|0.080248|3.804397|3.260184|2.925057|3.055935|2.108979|1.803167|1.703335|1.882388|2.132732|4.609989|0.097556|3.155199|3.089945|3.240130|2.788279|2.539651|4.726723|4.178977|5.752431|0.138782|8.690264|17.615261|8.718667|10.412771|0.038330|0.041545|0.040486|0.040071|0.044177|0.055257|0.069795|0.054170|0.060732|0.048414|0.048156|0.044839|0.044459|0.053396|0.050071|0.057193|0.066076|0.095725|0.074941|0.099102|0.073729|0.063088|0.116240|0.103493|0.217668|0.194605|0.500000| |1.518742|1.669311|1.618478|1.736146|1.977016|2.106127|2.463132|2.591604|0.073815|2.198880|3.828069|2.638939|0.049660|1.893739|3.013526|0.076116|3.122475|0.094112|4.589209|3.843564|3.341774|3.474482|2.418747|2.023885|1.925523|2.180809|2.520223|5.015380|0.111702|3.227759|2.968932|2.942547|2.512855|2.369333|4.564231|4.458409|6.857615|0.191681|8.811694|17.579222|8.797126|11.627145|0.039244|0.042193|0.041862|0.041241|0.045830|0.058219|0.074940|0.061611|0.069111|0.053431|0.053845|0.050093|0.050170|0.061625|0.058270|0.067704|0.080306|0.097892|0.077689|0.087611|0.065122|0.059250|0.113167|0.112408|0.173955|0.218155|0.302387|0.500000| 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