Version2.0 2020-07-18T06:30:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)Cl)C(=O)c4ccc(c(c4)[N+](=O)[O-])C C16487496 RHF 6-31G(d) (6D,7F) CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)Cl)C(=O)c4ccc(c(c4)[N+](=O)[O-])C C01[X(C27H28Cl1N3O4S1)] 186 C1 604 CC[C@@H](N(C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)Cl)ccs2)C CC[C@@H](N(C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)Cl)ccs2)C CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c3ccc(Cl)cc3)C(=O)c4ccc(C)c(c4)[N+]([O-])=O InChIKey=ACRGGCJPSDMIIJ-HFJWLAOPSA-N InChI=1S/C27H28ClN3O4S/c1-4-18(3)30(27(33)20-6-5-17(2)23(15-20)31(34)35)16-25(32)29-13-11-24-22(12-14-36-24)26(29)19-7-9-21(28)10-8-19/h5-10,12,14-15,18,26H,4,11,13,16H2,1-3H3/t18-,26+/m0/s1 InChI=1/C27H28ClN3O4S/c1-4-18(3)30(27(33)20-6-5-17(2)23(15-20)31(34)35)16-25(32)29-13-11-24-22(12-14-36-24)26(29)19-7-9-21(28)10-8-19/h5-10,12,14-15,18,26H,4,11,13,16H2,1-3H3/t18-,26+/m0/s1 CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)Cl)C(=O)c4ccc(c(c4)[N+](=O)[O-])C C01[X(C27H28Cl1N3O4S1)] 186 C01 604 CC[C@@H](N(C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N1CCc2c([C@H]1c1ccc(cc1)Cl)ccs2)C CC[C@@H](N(C(=O)[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])C)CC(=O)N1CCC2=[C]([CH]=CS2)[C@H]1[C]1[CH][CH][C]([CH][CH]1)Cl)C CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1[C]3[CH][CH][C](Cl)[CH][CH]3)C(=O)[C]4[CH][CH][C](C)[C]([CH]4)N([O])[O] InChIKey=ACRGGCJPSDMIIJ-HFJWLAOPSA-N InChI=1S/C27H28ClN3O4S/c1-4-18(3)30(27(33)20-6-5-17(2)23(15-20)31(34)35)16-25(32)29-13-11-24-22(12-14-36-24)26(29)19-7-9-21(28)10-8-19/h5-10,12,14-15,18,26H,4,11,13,16H2,1-3H3/t18-,26+/m0/s1 InChI=1/C27H28ClN3O4S/c1-4-18(3)30(27(33)20-6-5-17(2)23(15-20)31(34)35)16-25(32)29-13-11-24-22(12-14-36-24)26(29)19-7-9-21(28)10-8-19/h5-10,12,14-15,18,26H,4,11,13,16H2,1-3H3/t18-,26+/m0/s1 4167.5827852143 -2358.4369712 1-A 25773.8025 138 466 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82428 -91.97581 -20.59989 -20.59882 -20.54087 -20.53283 -15.85393 -15.60233 -15.59616 -11.36024 -11.35825 -11.30318 -11.29977 -11.29290 -11.28804 -11.28640 -11.28278 -11.28271 -11.27122 -11.27083 -11.26805 -11.26770 -11.26329 -11.25926 -11.25573 -11.24945 -11.24930 -11.24701 -11.24575 -11.24430 -11.24385 -11.24202 -11.23635 -11.23570 -11.22462 -11.22380 -10.55766 -8.98601 -8.02705 -8.02375 -8.02372 -6.66861 -6.66766 -6.66597 -1.63325 -1.41565 -1.41417 -1.40072 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0.94966 0.96274 0.96540 0.97043 0.98252 0.98388 0.98782 1.00191 1.00460 1.01318 1.01763 1.02917 1.03288 1.04335 1.04978 1.05459 1.06246 1.06800 1.07073 1.07719 1.07827 1.08302 1.08459 1.09156 1.09267 1.09773 1.10265 1.10576 1.10830 1.11044 1.11408 1.11666 1.12001 1.12512 1.12943 1.13124 1.14179 1.14452 1.14917 1.15291 1.15625 1.16425 1.16801 1.17174 1.17565 1.17678 1.18180 1.18696 1.18845 1.19032 1.19853 1.20011 1.20895 1.21341 1.21577 1.21759 1.22356 1.22676 1.23607 1.24045 1.24565 1.24718 1.25613 1.25967 1.26244 1.26718 1.27509 1.27942 1.28171 1.28982 1.29447 1.29886 1.30331 1.30623 1.30933 1.31581 1.31668 1.32328 1.33041 1.33709 1.35861 1.37343 1.38250 1.39263 1.39698 1.39973 1.40355 1.41775 1.41854 1.42708 1.43444 1.44168 1.45757 1.46071 1.46842 1.48011 1.48711 1.49802 1.50896 1.52083 1.53402 1.53688 1.53884 1.57284 1.57779 1.58908 1.60435 1.60805 1.62785 1.63779 1.64546 1.65467 1.65817 1.66242 1.66500 1.68517 1.68875 1.69805 1.70276 1.72006 1.72494 1.72798 1.73160 1.74075 1.74399 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1.00783 1.00783 1.00783 12300.2132 39290.9441 44599.7131 0.99992 0.01252 0.00360 -0.01243 0.99959 -0.02572 -0.00392 0.02567 0.99966 1 0.00704 0.00220 0.00194 0.14672 0.04593 0.04047 11.57 20.08 29.94 36.20 48.22 56.59 63.11 66.54 74.03 96.71 100.63 116.50 153.25 162.32 181.63 213.33 219.97 232.94 238.90 262.72 269.44 314.09 327.06 344.08 348.16 367.10 378.24 416.48 426.54 446.00 468.00 478.77 487.23 521.68 529.28 561.44 568.57 592.13 615.04 627.29 657.99 679.82 694.45 709.20 714.90 771.98 777.04 782.08 807.22 834.04 867.07 884.18 905.89 946.98 965.35 986.72 1000.83 1033.66 1064.77 1075.69 1106.78 1115.71 1119.38 1158.48 1164.02 1220.17 1222.02 1240.19 1268.37 1277.31 1287.48 1303.60 1316.44 1317.60 1349.45 1359.31 1371.96 1409.62 1422.45 1484.98 1489.78 1500.87 1522.82 1533.10 1556.26 1564.23 1570.03 1574.36 1595.32 1600.28 1610.46 1616.94 1631.78 1663.93 1685.80 1688.96 1715.24 1727.26 1734.71 1739.58 1741.27 1759.12 1786.45 1800.29 1827.87 1831.93 1874.17 1879.22 1880.06 1900.20 1908.32 1910.55 1912.21 1935.02 1952.58 2010.14 2028.77 2050.28 2055.32 2090.62 2105.72 2128.10 2133.93 2153.90 2173.97 2185.54 2203.49 2225.63 2235.84 2247.39 2256.10 2256.82 2261.31 2268.56 2274.48 2290.44 2339.02 2345.76 2351.10 2353.13 2354.04 2360.32 2365.41 2368.55 2372.36 2380.26 2386.68 2395.67 2407.41 2411.02 2521.52 2553.77 2597.46 2599.32 2605.99 2680.68 2755.47 2796.15 4604.48 4612.66 4613.01 4621.01 4626.77 4645.51 4655.50 4674.45 4686.12 4698.32 4699.43 4714.94 4717.75 4756.22 4764.17 4767.53 4771.98 4774.65 4800.00 4860.19 4861.05 4862.09 4887.87 4888.90 4892.30 4894.47 4952.06 4955.86 0.550336 0.582154 0.583098 0.481314 -2357.886635 -2357.854817 -2357.853873 -2357.955658 3.413886D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CC[C@H](C)N(CC(=O)N1CCc2c(ccs2)[C@H]1c3ccc(cc3)Cl)C(=O)c4ccc(c(c4)[N+](=O)[O-])C C16487496 RHF 6-31G(d) (6D,10F) C1 525.148906 |X|Y|Z| 137.222303 69.011363 46.703929 76.190281 25 6 7 16 22 2 1 |36.858105| |12.470089|36.858105| |7.401247|12.390284|36.858105| |6.906984|8.995934|17.663554|0.500000| |4.862858|7.513666|12.449516|0.249038|36.858105| |6.296743|7.644919|12.973216|0.257909|7.658158|53.358707| |5.073964|6.071714|7.578703|0.156771|6.250209|17.982615|36.858105| |3.654619|4.305448|5.493207|0.125197|5.518623|10.561407|12.411580|36.858105| |3.364444|3.956223|5.360905|0.129620|5.690022|9.674944|8.008785|15.892675|73.516695| |3.069203|3.513595|4.073505|0.095796|4.209683|6.984068|7.657879|13.907711|15.082146|53.358707| |3.038963|3.336851|3.590032|0.085080|3.519217|6.060660|6.642735|7.754429|9.562498|17.689638|36.858105| |2.528778|2.765179|2.889793|0.069986|2.932324|4.546457|4.456442|5.082879|7.158577|10.430938|12.499263|36.858105| |2.199817|2.395339|2.567462|0.063622|2.650954|4.013870|3.722666|4.555139|6.925268|9.189911|7.789187|12.739511|36.858105| |2.200023|2.419036|2.683143|0.066956|2.816231|4.233333|3.855798|5.153540|8.243072|10.494517|6.829955|7.653822|14.199142|36.858105| |1.899993|2.062732|2.276863|0.058106|2.392636|3.513892|3.032857|3.852509|6.596246|6.759980|4.548056|5.089805|8.223696|13.210499|36.858105| |1.748149|1.875984|2.023639|0.051826|2.105562|3.083015|2.643027|3.176571|5.344510|5.442059|3.998502|4.821387|7.712542|8.230572|14.200856|36.858105| |1.847702|1.975269|2.082064|0.052671|2.141146|3.173592|2.792390|3.233205|5.182228|5.709069|4.695305|6.633311|10.999070|7.453580|7.452267|11.009926|388.023441| |2.523035|2.845352|3.303236|0.081247|3.533789|5.357323|4.994734|7.969200|12.884844|17.557881|7.461946|6.390029|7.576022|12.603597|7.309166|5.083510|33.677551|36.858105| |2.471578|2.738027|3.240412|0.081605|3.386870|5.369251|4.747532|7.484545|13.883471|12.443443|6.036092|4.995818|5.851128|8.983948|6.744364|4.681231|29.395190|17.589213|0.500000| |2.387251|2.765068|3.235702|0.080111|3.718182|4.903465|4.275990|6.278524|11.607932|10.431780|5.114555|4.824020|5.477384|7.663794|5.974491|4.378103|28.140236|12.457722|0.249334|36.858105| |2.223017|2.554214|3.043338|0.077851|3.527393|4.520437|3.662725|5.090055|10.709368|7.260584|3.866686|3.606772|4.066487|5.425960|4.995278|3.753942|23.058677|7.527749|0.206548|13.751212|36.858105| |2.050576|2.367026|2.776236|0.072024|3.306693|3.930081|3.079063|3.934510|8.050362|5.460593|3.126534|3.009372|3.310070|4.083095|3.941573|3.181055|19.835628|4.994274|0.134069|7.890948|13.742397|36.858105| |2.017826|2.354410|2.687700|0.068908|3.264001|3.702954|2.935522|3.604406|6.942757|5.122521|3.034536|3.021035|3.251758|3.812126|3.615825|3.046130|19.692367|4.425249|0.111612|6.861799|7.984801|13.804891|36.858105| |2.137432|2.516460|2.816774|0.070442|3.415827|3.900559|3.219382|3.951758|7.154620|5.923806|3.527952|3.626935|3.839409|4.373790|3.925532|3.342631|22.527301|4.988299|0.116647|7.890806|6.889313|7.926574|13.766231|36.858105| |2.330899|2.739009|3.091049|0.075763|3.652133|4.467880|3.895585|5.114015|8.820886|8.438730|4.701036|4.832587|5.182509|6.164205|4.967620|4.029388|27.600827|7.494775|0.155702|13.710385|7.989475|6.888772|7.984309|13.780471|36.858105| |1.792084|2.070476|2.311729|0.060502|2.783054|3.095591|2.381417|2.761371|5.270240|3.834289|2.393534|2.403218|2.541639|2.850021|2.787262|2.465707|16.146403|3.148727|0.081970|4.213167|4.768270|7.033851|10.915020|7.031463|4.771001|448.794386| |5.351698|5.428564|7.564514|0.205859|5.263698|19.043016|8.065191|6.209324|11.083859|6.008364|3.932447|2.998750|2.733958|2.913887|2.481870|2.181609|15.724858|3.607550|0.105830|3.223921|3.073549|2.660317|2.449152|2.519575|2.859302|16.639258|36.858105| |4.470701|4.322322|5.296565|0.140868|4.099085|11.571576|7.253574|6.004848|10.183561|6.194234|4.238074|3.167803|2.899867|3.074863|2.616138|2.306434|16.681920|3.727242|0.111753|3.166599|2.983359|2.538572|2.324559|2.403794|2.768778|15.730164|15.837850|73.516695| |4.754932|4.692424|6.384745|0.216414|4.726528|10.473428|5.078254|4.425168|8.564595|4.611620|3.025330|2.444568|2.289544|2.454799|2.165117|1.917768|13.597629|2.968021|0.087971|2.775115|2.762863|2.470393|2.263213|2.267320|2.485796|15.802263|12.663463|14.496285|36.858105| |3.898690|4.141295|5.810304|0.204112|4.941738|8.311300|4.347506|4.141454|8.632400|4.361351|2.769672|2.294096|2.193897|2.394297|2.142863|1.883133|13.115780|2.923597|0.087186|2.849569|2.946768|2.684968|2.425519|2.368261|2.541567|17.070009|7.539596|9.899256|13.732246|36.858105| |3.286790|3.382169|4.300649|0.148794|3.854746|5.820891|3.310054|3.197393|6.506306|3.556145|2.309962|1.969792|1.904712|2.067098|1.892085|1.682563|11.654261|2.451072|0.072938|2.422085|2.544268|2.382168|2.163110|2.084978|2.191107|15.663290|5.024101|7.381409|7.926510|13.784335|36.858105| |3.178076|3.089019|3.664968|0.124477|3.188118|5.002090|2.917689|2.750919|5.377915|3.140410|2.101792|1.807045|1.740552|1.862388|1.715500|1.546232|10.789590|2.156512|0.063857|2.100187|2.174378|2.039381|1.875252|1.825620|1.920483|13.719665|4.399524|6.802163|6.734708|7.839864|13.683791|36.858105| |3.620029|3.321807|3.832261|0.128535|3.149620|5.434967|3.136597|2.850566|5.403563|3.249588|2.219473|1.886503|1.794923|1.899100|1.733853|1.570949|11.093845|2.185806|0.064529|2.079859|2.107046|1.948197|1.803709|1.784904|1.904248|13.073872|5.060075|7.971635|7.958346|6.953061|8.064680|13.640472|36.858105| |4.461902|4.003353|4.748660|0.157575|3.642478|7.256916|3.968052|3.457350|6.444479|3.829185|2.618506|2.165848|2.031849|2.144889|1.922489|1.732087|12.341479|2.502163|0.073857|2.330958|2.318116|2.101632|1.944911|1.950320|2.118699|13.836901|7.656465|11.545930|13.792423|7.994375|6.920604|7.802628|13.755397|36.858105| |3.218889|2.855123|3.100295|0.099711|2.595974|4.367302|2.650352|2.406592|4.457839|2.827884|1.977922|1.707734|1.624650|1.698677|1.564490|1.435889|10.194906|1.912152|0.056080|1.813280|1.825632|1.698941|1.587655|1.578091|1.677692|11.627339|3.890524|6.519330|5.155429|4.537337|5.112583|7.646737|13.040981|7.896383|53.358707| |3.204293|2.769053|2.941538|0.091593|2.445142|4.266586|2.650248|2.385294|4.338427|2.832551|2.015757|1.737202|1.646051|1.707851|1.570834|1.449528|10.358496|1.904226|0.055825|1.779337|1.772650|1.637013|1.533113|1.535864|1.645759|11.174434|3.839800|6.753339|4.717411|3.938715|4.123157|5.411251|8.371819|7.154828|21.723038|73.516695| |2.851735|2.570635|2.752135|0.088304|2.370639|3.761871|2.321474|2.133680|3.962724|2.538178|1.774955|1.554579|1.485539|1.551380|1.440019|1.327524|9.404279|1.734084|0.050600|1.665599|1.687000|1.590017|1.493111|1.477112|1.553621|11.072075|3.208046|5.348169|4.107211|3.882426|4.583886|6.830657|8.351147|5.500981|21.707601|16.043556|73.516695| |2.607715|2.543321|2.902013|0.095100|2.635667|3.891333|2.375851|2.279160|4.425430|2.676837|1.806883|1.586099|1.541039|1.644137|1.537220|1.397145|9.706788|1.871278|0.055178|1.843753|1.925076|1.837739|1.698719|1.641027|1.702471|12.673306|3.262014|5.241537|4.390432|5.023890|7.625123|12.599395|7.363480|4.937729|8.540346|8.108618|12.403806|36.858105| |17.536766|8.773737|6.755174|0.206062|4.520527|7.739224|4.350767|3.318895|5.643499|3.778923|2.701762|2.270792|2.019978|2.044519|1.790852|1.645389|12.201773|2.344637|0.064818|2.235785|2.124919|1.973169|1.924324|2.004710|2.161480|13.854467|5.318285|7.745862|5.279577|4.284129|3.698519|3.676488|4.285306|5.232851|5.163694|6.579365|5.946558|2.971908|0.500000| |17.557190|8.807641|5.433205|0.141873|4.059584|6.431635|4.165071|3.139958|5.121827|3.733701|2.778547|2.378075|2.061489|2.034300|1.769608|1.647617|12.490316|2.284408|0.061674|2.173571|2.018915|1.881260|1.872579|1.993550|2.155803|13.510436|4.129739|6.476725|3.758352|3.205630|2.804109|2.754315|3.098550|3.648121|3.897094|5.115799|4.611402|2.334520|0.302068|0.500000| |17.565177|8.752551|6.619896|0.166606|4.429569|9.366435|5.769438|3.965755|6.315069|4.528730|3.377735|2.739784|2.358878|2.345676|2.009540|1.848859|13.986634|2.683976|0.073402|2.467323|2.274707|2.063164|2.012635|2.140810|2.376040|14.180369|6.141054|9.574614|4.994264|3.882879|3.221266|3.135084|3.669468|4.732720|4.465823|5.993552|5.049133|2.551359|0.301552|0.302129|0.500000| |8.847692|17.522095|8.786919|0.174838|6.840294|9.269247|6.546175|4.539622|7.046078|5.220346|3.741024|3.105924|2.612097|2.589273|2.175062|1.987565|15.147320|3.021387|0.078773|2.920873|2.622791|2.419585|2.445213|2.681588|2.958424|17.100338|4.785031|7.194440|3.953401|3.534746|2.919272|2.671534|2.856432|3.406973|3.407110|4.382300|4.028221|2.242958|0.172805|0.212539|0.210446|0.500000| |8.870991|17.527854|8.943351|0.217899|7.083435|7.625042|4.641399|3.620364|6.114465|4.145334|2.876301|2.467250|2.171269|2.196882|1.902339|1.739354|12.947359|2.553676|0.068234|2.549311|2.391637|2.269598|2.284540|2.421856|2.566508|16.489931|4.336111|6.289949|4.058292|3.794643|3.234257|2.963628|3.101718|3.558898|3.673086|4.581916|4.424318|2.498600|0.210207|0.214727|0.172911|0.305194|0.500000| |4.559793|6.867267|8.845664|0.217982|17.556447|7.597268|4.676257|4.206446|7.738031|4.665414|2.966479|2.562076|2.337511|2.460618|2.136215|1.905195|13.763160|2.985260|0.079704|3.191567|3.091691|3.011823|3.033164|3.131406|3.214767|21.687868|4.260353|6.078361|4.106216|4.403707|3.664364|3.075713|2.985770|3.324988|3.399252|4.138637|4.133651|2.605405|0.121241|0.109801|0.110487|0.168826|0.213372|0.500000| |4.025814|5.470958|8.775622|0.211861|17.613062|9.577821|5.807220|5.867258|12.171541|5.935541|3.475322|2.897708|2.702483|2.959606|2.535399|2.193387|15.500247|3.824384|0.104205|4.141123|4.104432|3.831708|3.644423|3.671980|3.903150|24.462936|5.307163|7.392866|4.928333|5.594714|4.259674|3.364601|3.224604|3.681206|3.555949|4.337828|4.241305|2.772036|0.107818|0.094425|0.105870|0.140232|0.143182|0.300350|0.500000| |4.481924|6.820517|8.730314|0.173861|17.549730|9.153572|6.665697|6.004250|10.154294|6.505447|3.975036|3.333911|2.947416|3.092611|2.572989|2.265855|16.629073|3.888852|0.099305|4.149078|3.741994|3.489552|3.562115|3.912631|4.263298|23.824470|4.624959|6.799349|3.950403|3.988965|3.206445|2.729965|2.733822|3.157109|3.148663|3.941147|3.766148|2.303696|0.110743|0.107969|0.116542|0.203294|0.175046|0.302694|0.302454|0.500000| |4.925303|5.224408|5.795536|0.130656|4.688186|12.544128|17.665338|8.829005|10.947609|9.360156|7.162860|4.615516|3.769283|3.778426|2.986299|2.649545|20.295971|4.605889|0.123803|3.760767|3.234872|2.725755|2.597064|2.841681|3.426311|17.164660|7.549774|14.507307|4.739165|3.886881|3.051321|2.781899|3.074146|3.933851|3.620613|4.849892|4.105564|2.279076|0.116905|0.114805|0.168435|0.156537|0.112557|0.104722|0.122421|0.136321|0.500000| |5.241509|6.840645|7.439510|0.147229|6.660233|12.499608|17.619966|8.898567|11.099096|9.409849|6.425566|4.601488|3.685113|3.687193|2.900129|2.570917|19.744413|4.596560|0.115428|4.146565|3.477334|3.010365|2.977326|3.363012|4.041543|19.535452|5.847465|9.307837|4.192346|3.733229|2.953427|2.628860|2.794380|3.417202|3.277119|4.265748|3.813868|2.186437|0.119299|0.123735|0.157659|0.237565|0.144532|0.140190|0.157460|0.223794|0.303121|0.500000| |2.928650|3.089701|3.325696|0.080864|3.151479|5.749702|5.925754|6.628117|8.779411|12.302331|17.529689|8.907648|6.899764|6.227572|4.434766|3.956121|32.522221|6.429659|0.162954|4.368098|3.507952|2.842165|2.700775|3.031401|3.875908|17.432814|3.984275|8.113941|3.056739|2.748366|2.304690|2.122662|2.268380|2.691112|2.771228|3.733925|3.225577|1.822703|0.073305|0.074283|0.092263|0.093592|0.073937|0.074626|0.087319|0.095105|0.195973|0.147903|0.500000| |3.505536|3.867893|3.993312|0.092227|3.802703|6.699990|7.795431|7.253323|8.866205|12.463018|17.662321|8.957497|5.647920|4.996233|3.640535|3.297871|27.515997|5.561727|0.131272|4.334594|3.406736|2.857626|2.825727|3.285505|4.196723|18.310556|4.148167|7.765246|3.136714|2.818776|2.341235|2.143256|2.286360|2.723792|2.779180|3.706619|3.252310|1.833847|0.084019|0.089284|0.109601|0.125385|0.090584|0.088750|0.100144|0.121335|0.243829|0.231993|0.302424|0.500000| |2.431206|2.589267|2.638135|0.064599|2.616276|4.121300|3.921875|4.173641|6.033572|7.627221|8.929268|17.562992|8.879418|5.720235|4.304708|4.354547|45.271603|4.799133|0.112678|3.793541|3.005155|2.571984|2.583431|3.028501|3.806628|17.036302|2.771259|5.274384|2.279664|2.116553|1.837005|1.708808|1.799000|2.059937|2.244953|3.008252|2.671782|1.507470|0.060603|0.064384|0.073747|0.080679|0.064335|0.064438|0.071079|0.081315|0.117603|0.112415|0.222004|0.213062|0.500000| |2.535952|2.834497|2.918679|0.070086|3.043105|4.427041|4.281000|4.757067|6.804475|9.162415|8.825177|17.531332|8.899595|6.290378|4.475845|4.270653|40.217594|5.660733|0.121673|4.829194|3.574746|3.074935|3.206045|4.013138|5.344967|20.510575|2.842645|5.178505|2.348221|2.228581|1.920592|1.756207|1.820860|2.075933|2.242564|2.959494|2.683393|1.547851|0.062861|0.066843|0.074921|0.090076|0.071082|0.074476|0.082412|0.098765|0.117918|0.130152|0.174293|0.220138|0.302938|0.500000| |1.829762|1.987131|2.220777|0.057340|2.349242|3.406554|2.859132|3.649784|6.562171|6.015962|3.870195|4.067741|5.726088|8.557279|17.743202|8.929698|37.681414|6.557906|0.187264|5.918517|5.547602|4.342617|3.790420|3.888655|4.693211|23.450655|2.436143|4.534778|2.163799|2.175705|1.934696|1.744702|1.745461|1.918285|2.136614|2.786648|2.575672|1.570501|0.048381|0.047174|0.053447|0.057473|0.051211|0.058524|0.070276|0.069166|0.077293|0.075170|0.105836|0.088777|0.097522|0.102490|0.500000| |1.593379|1.698606|1.823681|0.047157|1.894768|2.748390|2.307387|2.714525|4.646426|4.459769|3.272364|3.828373|5.420281|5.682175|8.784858|17.790360|55.261827|4.027594|0.106833|3.647169|3.289876|2.886917|2.770041|2.965872|3.410737|18.576070|1.962040|3.678230|1.751991|1.728755|1.563112|1.444476|1.462811|1.597511|1.831625|2.414606|2.222852|1.316672|0.041921|0.041905|0.046614|0.049675|0.044068|0.048126|0.054838|0.056142|0.064308|0.062427|0.090950|0.077430|0.099556|0.096917|0.204122|0.500000| |2.201363|2.484809|2.994716|0.078017|3.354095|4.553926|3.603813|5.008921|11.166087|6.835423|3.697920|3.354194|3.794436|5.088468|4.857044|3.629164|21.894657|7.001113|0.230091|8.931673|17.728185|8.954370|5.676888|4.961746|5.667148|31.626094|3.218525|5.630895|2.925174|3.144867|2.717379|2.310687|2.230193|2.449347|2.615904|3.316022|3.143858|2.039587|0.059072|0.055197|0.063042|0.069786|0.064263|0.081532|0.109585|0.095553|0.089822|0.091860|0.096952|0.090127|0.079153|0.089579|0.156872|0.089441|0.500000| |1.924878|2.196726|2.575890|0.068278|3.027784|3.615115|2.750851|3.406635|7.068035|4.600925|2.713365|2.598810|2.843429|3.440372|3.428004|2.830920|17.552469|4.077659|0.114704|5.625089|8.893241|17.746000|8.933212|5.644617|4.962438|53.738657|2.500314|4.236366|2.384236|2.637733|2.390374|2.042280|1.924714|2.045170|2.286826|2.861612|2.812762|1.862363|0.052064|0.049113|0.053598|0.061503|0.058990|0.078049|0.098017|0.086184|0.068364|0.074053|0.070013|0.069595|0.062989|0.073047|0.106942|0.073016|0.215498|0.500000| |2.054988|2.416984|2.630769|0.065864|3.175265|3.570792|2.930182|3.422911|6.047201|5.104735|3.209882|3.386862|3.488647|3.757709|3.410948|3.040974|21.165062|4.070227|0.096349|5.622733|4.962621|5.646661|8.922843|17.744817|8.903252|53.774013|2.299976|3.897009|2.082322|2.160641|1.921821|1.700512|1.667275|1.813172|2.023596|2.575534|2.486231|1.539149|0.053366|0.053902|0.056774|0.072182|0.065425|0.082872|0.091931|0.101858|0.072622|0.086930|0.076741|0.085058|0.080225|0.107077|0.092292|0.076059|0.107710|0.124275|0.500000| |2.389698|2.799942|3.061103|0.074048|3.530052|4.437095|4.006992|5.019789|8.019171|8.859377|5.365953|5.965917|6.004949|6.357499|4.838604|4.133234|30.698143|6.950775|0.140421|8.906464|5.665580|4.961158|5.677525|8.977409|17.728449|31.654568|2.807469|4.878351|2.403926|2.404201|2.072750|1.840584|1.848269|2.069557|2.234579|2.883871|2.698776|1.630361|0.060701|0.061968|0.068046|0.086119|0.072409|0.086474|0.100530|0.117277|0.099585|0.119710|0.117330|0.134063|0.125925|0.201591|0.119660|0.095780|0.124329|0.107701|0.215976|0.500000| |3.687280|4.170282|6.176832|0.201013|5.857850|8.731597|4.694457|4.748896|10.638874|4.866364|2.969527|2.455112|2.364123|2.622614|2.332158|2.021038|13.960586|3.295380|0.098322|3.295157|3.467616|3.147043|2.801419|2.705820|2.901025|19.391515|6.966473|9.272120|8.924116|17.727688|8.937834|5.611093|4.994495|5.673145|4.917409|5.754105|5.677998|4.114745|0.107857|0.085057|0.101409|0.101240|0.106630|0.139693|0.205370|0.128481|0.111351|0.112125|0.080340|0.083058|0.061925|0.066650|0.066140|0.051264|0.102826|0.085599|0.067628|0.074882|0.500000| |2.877504|3.031957|3.800060|0.127021|3.639884|5.023730|2.974576|2.961888|6.107291|3.352924|2.161531|1.872079|1.829946|1.998157|1.849367|1.643002|11.276783|2.361899|0.070203|2.387666|2.561905|2.447730|2.212304|2.096034|2.166819|16.242888|4.100742|6.198942|5.654325|8.974471|17.732494|8.954109|5.701530|4.978534|5.627161|6.074684|6.971249|7.162433|0.088210|0.069591|0.077625|0.073972|0.082313|0.098350|0.114356|0.084799|0.075616|0.075053|0.059473|0.060380|0.048341|0.050998|0.052976|0.042594|0.076060|0.069390|0.053639|0.056367|0.217013|0.500000| |4.653761|3.915701|4.351196|0.135986|3.316179|6.844020|3.929667|3.332684|5.980044|3.768454|2.656538|2.192399|2.036238|2.119358|1.894245|1.722187|12.412438|2.433475|0.071359|2.228883|2.181409|1.969298|1.836898|1.862771|2.038103|13.059327|7.091831|12.050368|8.923717|5.668711|4.983670|5.604041|8.950939|17.791940|10.044541|14.448416|9.081270|4.042135|0.149437|0.106886|0.144908|0.094322|0.095142|0.084028|0.090957|0.082234|0.113487|0.094338|0.076945|0.077499|0.058655|0.058005|0.052042|0.044113|0.063674|0.052896|0.048357|0.055977|0.124429|0.108083|0.500000| |2.617124|2.529297|2.811852|0.092481|2.550715|3.673876|2.250362|2.130003|4.078435|2.518094|1.714235|1.513851|1.462047|1.547431|1.444876|1.321099|9.239765|1.750172|0.051050|1.731581|1.794316|1.725728|1.614498|1.567605|1.618431|12.144912|3.003271|4.804980|3.928354|4.346439|6.039500|8.848949|6.366882|4.448032|8.156904|7.760406|13.226341|17.610197|0.083922|0.065852|0.070005|0.061660|0.070155|0.071321|0.073152|0.062015|0.060000|0.058350|0.047809|0.048697|0.040111|0.041268|0.040814|0.034620|0.052217|0.048421|0.041148|0.043283|0.101258|0.159809|0.104521|0.500000| |2.394218|2.304511|2.589733|0.082773|2.350558|3.553477|2.214306|2.134721|4.113336|2.537857|1.728884|1.523772|1.486780|1.583066|1.489622|1.359814|9.434011|1.783792|0.052826|1.742090|1.815638|1.726311|1.593394|1.541834|1.604734|11.886505|3.010060|4.994056|3.915096|4.246210|5.808805|8.812054|6.647759|4.547677|8.877737|8.602524|13.424916|17.617142|0.074973|0.060097|0.066061|0.057202|0.062396|0.064023|0.068425|0.058032|0.059868|0.056481|0.048872|0.048533|0.040443|0.041095|0.042306|0.035726|0.053680|0.048628|0.040195|0.042806|0.098590|0.150984|0.107897|0.304004|0.500000| 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