Version2.0 2019-11-15T19:59:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1CSc2nc3ccccc3s2)[C@@H]4[C@H]5C(=c6ccccc6=[NH+]5)C[C@@H](N4)C(=O)OC C63362907 RHF 6-31G(d) (6D,7F) COc1ccc(cc1CSc2nc3ccccc3s2)[C@@H]4[C@H]5C(=c6ccccc6=[NH+]5)C[C@@H](N4)C(=O)OC C01[X(C28H26N3O3S2)] 180 C1 600 COC(=O)[C@@H]1N[C@H](c2ccc(c(c2)CSc2nc3c(s2)cccc3)OC)[C@H]2C(=c3ccccc3=[NH+]2)C1 COC(=O)[C@@H]1N[C@H](c2ccc(c(c2)CSc2nc3c(s2)cccc3)OC)[C@H]2C(=c3ccccc3=[NH+]2)C1 COC(=O)[C@H]1CC2=C3C=CC=CC3=[NH+][C@H]2[C@H](N1)c4ccc(OC)c(CSc5sc6ccccc6n5)c4 InChIKey=DFBXIAAUHMMEEI-DNRSQYFGSA-O InChI=1S/C28H25N3O3S2/c1-33-23-12-11-16(13-17(23)15-35-28-31-21-9-5-6-10-24(21)36-28)25-26-19(14-22(30-25)27(32)34-2)18-7-3-4-8-20(18)29-26/h3-13,22,25-26,30H,14-15H2,1-2H3/p+1/t22-,25-,26-/m1/s1 InChI=1/C28H25N3O3S2/c1-33-23-12-11-16(13-17(23)15-35-28-31-21-9-5-6-10-24(21)36-28)25-26-19(14-22(30-25)27(32)34-2)18-7-3-4-8-20(18)29-26/h3-13,22,25-26,30H,14-15H2,1-2H3/p+1/t22-,25-,26-/m1/s1/fC28H26N3O3S2/h29H/q+1 COc1ccc(cc1CSc2nc3ccccc3s2)[C@@H]4[C@H]5C(=c6ccccc6=[NH+]5)C[C@@H](N4)C(=O)OC C01[X(C28H26N3O3S2)] 180 C01 600 COC(=O)[C@@H]1N[C@H](c2ccc(c(c2)CSc2nc3c(s2)cccc3)OC)[C@H]2C(=c3ccccc3=[NH+]2)C1 COC(=O)[C@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H](N1)c1ccc(c(c1)CSc1nc2c(s1)cccc2)OC COC(=O)[C@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H](N1)c4ccc(OC)c(CSc5sc6ccccc6n5)c4 InChIKey=DMZYDPVAYPXRKJ-SUVBRTNGSA-N InChI=1S/C28H27N3O3S2/c1-33-23-12-11-16(13-17(23)15-35-28-31-21-9-5-6-10-24(21)36-28)25-26-19(14-22(30-25)27(32)34-2)18-7-3-4-8-20(18)29-26/h3-13,20,22,25-26,29-30H,14-15H2,1-2H3/t20-,22-,25-,26-/m1/s1 InChI=1/C28H27N3O3S2/c1-33-23-12-11-16(13-17(23)15-35-28-31-21-9-5-6-10-24(21)36-28)25-26-19(14-22(30-25)27(32)34-2)18-7-3-4-8-20(18)29-26/h3-13,20,22,25-26,29-30H,14-15H2,1-2H3/t20-,22-,25-,26-/m1/s1 4221.4024038010 -2258.1993992 1-A 20211.0918 135 465 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04153 -92.02953 -20.70232 -20.67948 -20.65311 -15.76000 -15.68204 -15.63092 -11.47914 -11.47065 -11.43913 -11.43022 -11.41548 -11.40945 -11.40478 -11.40198 -11.39882 -11.39153 -11.38995 -11.37685 -11.37567 -11.36884 -11.36112 -11.35852 -11.34858 -11.34167 -11.33985 -11.33876 -11.33733 -11.32893 -11.32695 -11.32546 -11.30156 -11.29145 -11.29048 -11.28896 -9.05221 -9.03951 -6.73476 -6.73380 -6.73187 -6.72229 -6.72080 -6.71862 -1.57351 -1.51137 -1.47060 -1.46820 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0.3095 0.5923 0.8183 0.3774 0.2731 0.6699 0.4884 0.4749 0.8452 0.2588 0.2370 0.4315 0.5366 0.3126 0.2715 0.4316 0.5762 0.3251 0.8260 0.2985 0.7028 0.5780 0.4989 0.8175 0.5084 0.3946 0.1939 0.8127 0.8432 0.8570 0.8000 0.8519 0.4756 0.5044 0.8021 0.4584 0.7813 0.4945 0.6715 0.8407 0.5380 0.7899 0.5228 0.0488 0.4581 0.0506 0.0732 0.3863 0.4348 0.8552 0.6869 0.7337 0.7320 0.4979 0.7373 0.8522 0.8402 0.8562 0.7664 0.4341 0.2272 0.6853 0.8316 0.2996 0.3958 0.2395 0.4104 0.4653 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 60 61 62 6 8 6 6 6 6 6 6 6 16 6 7 6 6 6 6 6 6 16 6 1 6 1 6 6 6 6 6 6 6 7 1 6 6 1 7 6 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12816.9642 29779.2909 31377.9675 0.99999 0.00482 0.00135 -0.00478 0.99961 -0.02754 -0.00148 0.02754 0.99962 1 0.00676 0.00291 0.00276 0.14081 0.06060 0.05752 10.86 12.91 20.57 37.51 47.60 65.55 69.40 89.05 94.76 123.23 128.74 149.58 170.01 184.88 192.65 207.65 230.72 255.55 285.16 297.70 301.94 334.07 353.11 370.98 391.66 399.43 419.30 447.27 465.72 506.01 530.24 545.33 558.03 602.50 614.93 625.85 648.03 692.93 702.62 707.66 745.29 766.39 788.38 788.85 796.13 813.03 828.36 830.78 840.50 908.51 923.47 928.66 947.56 966.54 1011.87 1019.35 1040.62 1076.45 1107.89 1109.36 1161.17 1170.54 1175.19 1196.04 1204.52 1227.37 1233.91 1254.65 1264.97 1324.81 1339.45 1344.17 1355.92 1366.38 1381.00 1407.80 1422.52 1433.14 1469.15 1498.23 1519.02 1527.51 1539.71 1550.87 1555.48 1602.11 1604.59 1605.62 1613.80 1620.71 1631.64 1662.77 1664.16 1671.61 1702.57 1702.91 1762.89 1763.27 1773.45 1802.58 1803.20 1816.86 1839.37 1859.52 1862.22 1863.12 1884.74 1888.90 1904.04 1919.70 1924.37 1942.25 1950.27 1961.20 1968.53 1973.95 2008.99 2038.28 2040.34 2058.72 2072.04 2086.75 2092.00 2106.38 2156.76 2169.54 2196.52 2209.30 2246.01 2267.39 2302.50 2307.26 2313.06 2325.01 2337.39 2346.30 2354.55 2357.20 2358.31 2363.65 2367.99 2374.51 2382.04 2405.79 2437.44 2484.80 2508.37 2534.33 2540.43 2559.61 2591.16 2612.70 2650.96 2850.70 4632.40 4635.72 4648.59 4702.19 4703.76 4709.52 4722.33 4737.29 4795.63 4795.88 4822.98 4828.36 4838.24 4848.21 4865.35 4867.72 4875.19 4882.32 4896.02 4898.66 4899.00 4906.42 4912.53 4924.12 5565.53 5578.10 0.531244 0.561253 0.562197 0.464516 -2257.668155 -2257.638146 -2257.637202 -2257.734884 3.276270D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE COc1ccc(cc1CSc2nc3ccccc3s2)[C@@H]4[C@H]5C(=c6ccccc6=[NH+]5)C[C@@H](N4)C(=O)OC C63362907 RHF 6-31G(d) (6D,10F) C1 516.141532 |X|Y|Z| 64.015870 56.598212 113.620190 74.390125 30 6 7 16 25 3 2 |36.858105| |13.538957|73.516695| |7.992292|25.334789|36.858105| |6.708632|14.068311|13.762538|36.858105| |4.508878|9.275985|7.942493|13.727690|36.858105| |3.768446|8.175141|6.783703|7.861358|13.764958|36.858105| |3.983490|9.432779|7.930097|6.900512|8.020145|13.645602|36.858105| |5.239531|14.568121|13.571455|7.908669|6.885778|7.840838|13.796176|36.858105| |4.594926|12.313128|7.543624|5.022253|4.454931|4.999534|7.584243|12.618564|36.858105| |4.107158|9.770793|5.513573|4.107167|3.699105|4.029095|5.375312|7.006253|10.417884|388.023441| |3.261605|7.185997|3.847043|3.052432|2.806158|3.037734|3.837494|4.586200|6.771633|76.851627|36.858105| |2.796402|5.858631|3.161540|2.624596|2.453353|2.638848|3.198399|3.628489|4.754461|51.444732|15.060531|53.358707| |2.447794|5.000086|2.672910|2.262119|2.124958|2.270661|2.694963|3.006530|3.843817|35.006561|8.690056|18.679531|36.858105| |2.113480|4.198176|2.259642|1.964573|1.864366|1.979666|2.287820|2.490194|3.019299|26.608635|5.415102|10.521985|13.684799|36.858105| |1.908007|3.742636|2.009499|1.765463|1.679734|1.775556|2.028341|2.192075|2.619415|21.672763|4.173777|7.027344|7.995182|13.829355|36.858105| |1.924945|3.787580|2.020858|1.766854|1.675134|1.769434|2.028806|2.205753|2.664464|21.006010|4.063517|6.250419|6.890080|7.889030|13.629969|36.858105| |2.161377|4.330967|2.293297|1.968955|1.852224|1.963196|2.289816|2.532020|3.165866|24.344123|4.974565|7.110752|7.848667|6.769993|7.886373|13.810461|36.858105| |2.481041|5.101573|2.696057|2.262391|2.113330|2.255265|2.692306|3.037268|3.982257|32.338414|7.794717|11.045104|13.693177|7.907975|6.935418|8.033462|13.721951|36.858105| |3.056386|6.634810|3.467211|2.777257|2.548009|2.735873|3.402957|4.042498|5.941807|43.562602|10.807290|10.034567|7.425878|4.880991|4.254633|4.690113|6.705917|10.886319|388.023441| |2.915238|5.979111|4.400786|5.024415|7.648229|12.511983|7.365842|4.944738|3.737383|22.830425|2.572419|3.136273|2.020722|1.797165|1.627113|1.616881|1.770150|1.999200|16.682666|36.858105| |2.851213|5.636878|4.063627|4.954405|7.750958|9.141698|5.604929|4.223349|3.239411|20.186625|2.304712|2.837379|1.843526|1.654439|1.506429|1.496717|1.629209|1.824099|15.058577|17.626769|0.500000| |2.561573|5.232931|3.671590|3.963885|5.269843|7.322483|5.842004|4.197506|3.412111|20.217674|2.394933|2.920860|1.924445|1.716928|1.575668|1.583881|1.738901|1.937436|16.136057|12.085168|0.248254|36.858105| |2.305368|4.581918|3.126236|3.438265|4.471696|5.534129|4.444966|3.428294|2.862551|17.507851|2.111799|2.613739|1.738856|1.570084|1.450148|1.455457|1.584032|1.746383|14.288839|8.808580|0.233323|17.534499|0.500000| |2.335166|4.822959|3.283034|3.327156|4.085987|5.608847|5.392041|3.941380|3.438606|20.694757|2.516439|3.087268|2.043082|1.823575|1.673363|1.681334|1.844908|2.055508|16.980291|7.497213|0.156595|12.777760|0.251405|36.858105| |2.334766|4.872296|3.248358|3.171249|3.691261|4.835463|5.116799|3.963063|3.621782|20.873249|2.615015|3.166458|2.125368|1.881834|1.741565|1.775036|1.970728|2.184533|18.306298|5.432027|0.121448|8.192119|0.175079|14.051436|36.858105| |2.129459|4.427808|2.841768|2.692727|2.987899|3.718782|4.141086|3.462873|3.416902|20.132732|2.650667|3.236625|2.215510|1.967201|1.837430|1.887887|2.099474|2.303011|19.038769|3.941050|0.092077|5.077949|0.120352|7.432332|13.232673|36.858105| |2.106190|4.366398|2.732770|2.551930|2.741615|3.273073|3.683660|3.273175|3.339286|19.260738|2.614586|3.169418|2.213424|1.959300|1.855529|1.941367|2.182969|2.360677|19.672286|3.307114|0.079811|4.101327|0.099630|5.140693|7.970637|14.185308|36.858105| |2.268542|4.698349|2.934516|2.748702|2.918891|3.397937|3.771935|3.437929|3.432768|19.003357|2.544797|3.041460|2.122518|1.868835|1.774909|1.871049|2.121212|2.289937|19.515163|3.331756|0.081929|4.153663|0.100697|4.661127|6.904548|7.872923|13.194926|36.858105| |2.504978|5.198694|3.346348|3.214543|3.491837|4.080798|4.365305|3.868541|3.611684|19.509364|2.508138|2.978337|2.043282|1.795974|1.690583|1.765549|1.994547|2.176985|18.747982|3.983910|0.098127|5.199468|0.122630|5.308956|7.675068|6.609903|7.705683|14.036776|36.858105| |2.557659|5.336838|3.590760|3.556854|4.128976|5.208561|5.317224|4.248904|3.736929|20.530124|2.546161|3.040194|2.046346|1.802874|1.676287|1.723204|1.927859|2.130838|18.200901|5.461759|0.127745|8.366223|0.177233|8.463877|13.217969|7.639235|6.811377|8.077681|13.470303|36.858105| |2.709832|5.573625|3.876999|4.106843|5.142095|6.528002|5.705920|4.383626|3.585943|20.099434|2.417123|2.902741|1.933345|1.712054|1.583797|1.613503|1.790995|1.985815|16.847280|7.398450|0.176543|13.187799|0.254540|8.317190|8.426269|5.285163|4.648687|5.251771|7.710445|14.444999|53.358707| |2.885885|5.844097|4.063806|4.471165|5.558718|6.313580|5.302757|4.333831|3.477957|19.408072|2.326982|2.789727|1.862166|1.650278|1.530553|1.562783|1.735624|1.918869|16.321552|6.516437|0.172490|8.795553|0.202792|5.852206|5.921277|4.235376|3.950777|4.643119|6.819333|9.278862|26.027874|0.500000| |2.121778|4.318361|2.883543|2.925318|3.537249|4.652917|4.477820|3.405154|3.052916|19.667809|2.410610|3.033120|2.002326|1.812678|1.656256|1.641661|1.775163|1.974997|15.864122|6.269202|0.138114|7.495191|0.187686|12.846230|7.314404|5.687683|4.085159|3.566833|3.797319|5.118134|7.024907|0.114935|36.858105| |2.307120|4.706460|3.197899|3.279563|4.049218|5.451296|5.086994|3.774525|3.284427|22.071758|2.595078|3.280344|2.113835|1.909842|1.718000|1.680161|1.810359|2.042865|16.402262|7.423062|0.158217|6.458222|0.158202|7.712140|5.220578|4.251892|3.320754|3.019357|3.252410|4.203163|6.121977|0.106085|12.284124|36.858105| |2.095830|4.190232|2.779975|2.871950|3.462625|4.326529|4.020666|3.174486|2.825556|19.653291|2.356937|3.040919|1.974531|1.811455|1.634235|1.587211|1.690386|1.891919|14.870421|5.627193|0.133654|4.985649|0.132673|5.655561|4.154488|3.573593|2.871930|2.613077|2.773123|3.446683|4.999232|0.089380|8.864808|17.612704|0.500000| |2.580192|5.227216|3.679235|4.008542|5.400553|7.512921|5.825385|4.179588|3.384134|22.270636|2.532537|3.162093|2.026970|1.823051|1.640593|1.609638|1.741291|1.967745|16.019323|13.107553|0.261815|7.696227|0.187097|6.819949|4.751867|3.701098|3.035046|2.913004|3.280179|4.278905|6.878461|0.123314|7.587820|13.182138|0.260020|53.358707| |2.435864|5.085871|3.421066|3.313822|3.863169|5.163959|5.596580|4.248512|3.877369|27.309018|3.162509|4.001327|2.515009|2.244962|1.981925|1.919518|2.075266|2.389053|19.216318|5.649824|0.122932|4.903316|0.116079|5.954379|4.782352|4.247732|3.378721|3.014661|3.141651|3.867502|5.303341|0.093916|7.559420|12.455898|0.252543|10.467492|36.858105| |2.429411|5.159003|3.416068|3.178300|3.576721|4.745035|5.669885|4.419289|4.303271|29.455051|3.531394|4.404107|2.780893|2.446388|2.159352|2.108145|2.304863|2.671483|21.731840|4.865901|0.106803|4.639161|0.107751|6.048624|5.397169|5.138201|3.999756|3.428793|3.454465|4.175154|5.359728|0.093828|6.907504|7.946977|0.171379|7.700771|15.959750|73.516695| |2.440852|5.018048|3.317638|3.229819|3.670207|4.573588|4.833716|3.956014|3.637403|27.883803|3.174686|4.127870|2.549781|2.301597|2.005925|1.909706|2.039666|2.358865|18.586866|4.751185|0.110575|3.909566|0.096356|4.320336|3.631119|3.305815|2.770526|2.534329|2.640193|3.130507|4.382060|0.080700|5.201946|8.118967|0.213733|8.819232|14.634172|15.269648|73.516695| |2.445835|5.045314|3.212495|2.999840|3.215309|3.817714|4.292932|3.834640|3.790403|32.214070|3.726562|5.018626|3.004753|2.711497|2.302138|2.147559|2.278671|2.681880|20.672417|3.685866|0.088449|3.161709|0.078323|3.477370|3.130954|2.988909|2.592267|2.371288|2.418467|2.756107|3.759868|0.070457|3.931807|5.155589|0.137372|6.063997|8.128531|12.631746|23.666299|36.858105| |17.670983|16.987675|5.890386|4.901536|3.618803|3.172530|3.418209|4.419461|4.248895|28.112585|3.309615|3.886463|2.534602|2.189098|1.985506|2.012387|2.264513|2.588434|22.510038|2.537369|0.068607|2.277552|0.057329|2.117877|2.139543|1.989429|1.988490|2.133406|2.311086|2.320889|3.280524|0.070589|1.940383|2.091096|0.053184|3.116475|2.227573|3.991955|3.980919|2.284134|0.500000| |17.586152|16.437207|7.085893|6.720813|4.591231|3.746733|3.829054|4.802171|4.118936|28.153091|3.089333|3.694541|2.353459|2.057876|1.846508|1.837513|2.033620|2.332660|19.863623|2.930185|0.080624|2.510103|0.063283|2.279200|2.233960|2.028618|1.978864|2.100634|2.314273|2.409029|3.518654|0.075979|2.106716|2.333579|0.059432|3.592503|2.457060|4.274862|4.468330|2.516445|0.299895|0.500000| |17.576243|16.420155|6.954842|6.685726|4.546083|3.691071|3.755934|4.694740|4.025014|24.599932|2.840499|3.347196|2.194109|1.914418|1.750978|1.779356|1.992289|2.248199|19.517049|2.897659|0.080120|2.585729|0.065157|2.316092|2.324702|2.103390|2.093935|2.293202|2.570746|2.601871|3.797956|0.084479|2.079397|2.228686|0.056246|3.420295|2.301076|4.073769|4.045217|2.240086|0.299942|0.298337|0.500000| |7.438572|12.553114|8.889568|17.770729|8.954158|5.633128|4.970777|5.620754|4.083181|25.050109|2.725914|3.248375|2.085098|1.832527|1.658671|1.659967|1.836502|2.085457|17.857512|4.125029|0.118416|3.372801|0.084308|2.850910|2.728218|2.356515|2.258955|2.440410|2.824759|3.054368|4.769161|0.107541|2.550469|2.829093|0.070546|4.646777|2.827457|4.810859|4.978535|2.631431|0.145585|0.220610|0.225401|0.500000| |3.922595|7.494736|5.669068|8.993844|17.696696|8.913179|5.667849|4.957377|3.559213|21.958450|2.431018|2.952535|1.903869|1.694734|1.538194|1.531429|1.677055|1.889222|15.841969|7.139842|0.243230|5.005281|0.126220|3.772055|3.345891|2.717486|2.494215|2.651412|3.163209|3.728043|6.472779|0.146274|3.339402|3.795168|0.092941|7.056047|3.461774|5.604311|5.923884|2.891451|0.089246|0.113584|0.113021|0.219043|0.500000| |3.338681|7.651199|5.667799|4.969578|5.671844|8.860668|17.752289|9.059156|7.145258|37.653844|3.985364|4.548551|2.825448|2.394433|2.120204|2.119955|2.394385|2.820899|25.168696|6.737266|0.138303|5.985434|0.124746|6.385236|6.183034|5.062516|4.295235|4.162123|4.615872|5.756975|7.668740|0.135785|5.288619|5.840671|0.123419|8.052708|6.995905|14.015251|9.703358|4.807033|0.082523|0.089199|0.087530|0.107879|0.124034|0.500000| |5.078225|13.883230|7.102942|4.720564|3.997027|4.212383|5.713454|8.906456|17.653690|56.141912|6.327890|6.082300|3.787807|2.970428|2.624712|2.727087|3.301894|4.107385|46.012398|3.236677|0.080314|3.024819|0.071917|3.001728|3.211188|3.071374|3.110807|3.298959|3.457133|3.417691|4.454753|0.090456|2.655724|2.797795|0.068070|3.951387|3.186626|6.200471|5.367106|3.140473|0.135663|0.119387|0.123208|0.111358|0.090925|0.146725|0.500000| |3.691690|9.016543|5.631772|4.210506|4.003389|4.742937|7.233714|8.911083|17.625127|56.278734|6.445877|6.319799|3.883038|3.051983|2.674867|2.750405|3.296222|4.116488|43.778665|3.746552|0.088424|3.588120|0.082740|3.796802|4.168240|4.071227|4.000844|4.008869|4.069855|4.173350|5.166577|0.099109|3.326172|3.461463|0.081760|4.661911|4.157080|8.738009|6.624018|3.859396|0.096190|0.093322|0.093522|0.096670|0.090929|0.222956|0.300367|0.500000| |2.047978|4.032894|2.188182|1.923611|1.835159|1.945271|2.224774|2.396119|2.834130|25.593121|4.826835|9.520684|8.913208|17.740276|8.877504|5.607873|4.900145|5.636931|28.845224|1.777021|0.045568|1.682676|0.042913|1.784139|1.817450|1.885106|1.854333|1.763058|1.706851|1.732435|2.258828|0.044407|1.795468|1.913324|0.050859|2.482647|2.256134|4.311499|4.190025|2.823228|0.058593|0.056149|0.051443|0.049977|0.046559|0.064525|0.076280|0.078802|0.500000| |1.740208|3.371783|1.818555|1.618630|1.547985|1.630397|1.838322|1.965817|2.296280|18.838130|3.431272|5.661812|5.669598|8.961722|17.726823|8.900013|5.635536|4.985206|24.405383|1.508409|0.038995|1.461836|0.037621|1.550383|1.604662|1.690607|1.701758|1.625658|1.551033|1.542042|1.991527|0.039311|1.545335|1.602128|0.042675|2.080894|1.833251|3.518087|3.315922|2.131706|0.050210|0.047098|0.044597|0.042484|0.039671|0.053258|0.063688|0.064956|0.213898|0.500000| |1.763206|3.430552|1.833695|1.620750|1.541880|1.622308|1.839198|1.983539|2.350517|18.083553|3.325124|4.964501|4.961702|5.634881|8.889939|17.726555|8.961557|5.686703|27.333924|1.494331|0.038618|1.473569|0.037837|1.561725|1.651501|1.761255|1.822332|1.760938|1.656337|1.607746|2.048576|0.040579|1.524798|1.549289|0.040816|2.022089|1.748659|3.397391|3.083180|1.926494|0.051218|0.046766|0.045684|0.042540|0.039412|0.053257|0.067100|0.067467|0.123686|0.215510|0.500000| |2.123021|4.238553|2.238601|1.927701|1.812056|1.914836|2.223821|2.457710|3.049097|22.244133|4.288877|5.763198|5.597445|4.899284|5.614648|8.905126|17.730185|8.853776|43.897963|1.729210|0.044324|1.717187|0.043514|1.817191|1.962529|2.101236|2.224079|2.185177|2.038610|1.938992|2.436061|0.048342|1.730369|1.744466|0.045126|2.292501|1.973595|3.898498|3.410580|2.104413|0.061909|0.054952|0.054953|0.050085|0.045666|0.064400|0.090107|0.088835|0.106642|0.123921|0.215133|0.500000| |1.983818|4.093680|2.602272|2.467732|2.729285|3.370310|3.735733|3.152110|3.160845|19.524077|2.607461|3.246247|2.228775|1.999897|1.866321|1.901382|2.090471|2.286913|18.424084|3.623790|0.085203|4.432550|0.108537|6.572649|8.729177|17.755796|9.008887|5.588547|4.816984|5.499167|5.836600|0.098220|5.968711|4.385755|0.104771|4.912047|4.493031|9.929364|6.162983|3.147826|0.051781|0.053004|0.053991|0.060420|0.069515|0.127707|0.078438|0.103867|0.053545|0.047906|0.049280|0.057621|0.500000| |1.947770|4.001354|2.450665|2.274813|2.403617|2.808088|3.161073|2.896741|3.046156|18.110720|2.542777|3.122340|2.223075|1.983449|1.900427|2.004119|2.247719|2.391535|19.493319|2.818509|0.069084|3.354752|0.083609|4.105060|5.633427|9.039505|17.757629|8.776921|5.584414|4.925588|5.014694|0.089950|3.508710|2.925021|0.071954|3.610973|3.034356|6.395010|4.523921|2.434728|0.051692|0.050897|0.053562|0.056593|0.061142|0.101216|0.079905|0.100973|0.051875|0.048489|0.052580|0.064048|0.214994|0.500000| |2.175938|4.452577|2.704764|2.518533|2.609402|2.939719|3.251460|3.090949|3.164219|17.729997|2.433946|2.919846|2.071729|1.830651|1.759556|1.877507|2.136049|2.269216|19.219686|2.840897|0.071362|3.399448|0.084603|3.690893|4.969561|5.659472|8.809478|17.721037|9.090439|5.704926|5.710601|0.108535|2.972792|2.586600|0.063363|3.422033|2.607961|5.223467|3.995343|2.139730|0.057564|0.055604|0.061351|0.063112|0.066325|0.097264|0.087113|0.101104|0.047667|0.044788|0.049451|0.062027|0.124012|0.215791|0.500000| |2.594319|5.303480|3.362699|3.268509|3.469589|3.845329|4.006814|3.712508|3.429017|18.506498|2.378798|2.823957|1.945452|1.713591|1.620071|1.698098|1.918954|2.082348|17.954741|3.658096|0.093408|4.542891|0.110839|4.304625|5.503060|4.816872|5.521270|8.942560|17.753963|8.759061|9.225959|0.192621|3.231505|2.870772|0.069101|4.055106|2.768340|5.292751|4.250075|2.208537|0.066448|0.065865|0.075460|0.081155|0.088247|0.111740|0.094171|0.103486|0.045200|0.041351|0.044419|0.054808|0.105253|0.123163|0.216857|0.500000| |1.992284|4.057802|2.652121|2.624446|3.056775|3.899575|3.982794|3.155369|2.956385|19.362842|2.441766|3.102400|2.065715|1.878682|1.720786|1.704396|1.836875|2.035894|16.145420|4.750656|0.108649|5.492858|0.139148|8.911778|6.765298|6.208990|4.321965|3.564129|3.598082|4.578661|5.858629|0.098176|17.658246|8.707505|0.203527|7.573338|7.262309|13.353223|8.922110|3.985154|0.051213|0.054731|0.053932|0.064064|0.079564|0.134036|0.071621|0.091287|0.051649|0.044635|0.043992|0.049648|0.205037|0.105838|0.083068|0.084388|0.500000| |1.957170|3.906970|2.577801|2.670467|3.228785|4.034680|3.724395|2.937598|2.631883|17.127910|2.122837|2.696530|1.798204|1.645578|1.515130|1.502072|1.612730|1.775103|14.092564|5.562750|0.133383|6.780136|0.199509|9.119317|5.877819|4.723711|3.582346|3.205413|3.433518|4.503667|6.419526|0.108034|17.532021|8.857733|0.225416|9.051967|5.576791|8.909388|7.685529|3.351561|0.049818|0.054229|0.053745|0.065953|0.087636|0.115601|0.064921|0.078280|0.045407|0.039528|0.039008|0.043812|0.136451|0.086945|0.075540|0.083034|0.301213|0.500000| |2.403583|4.740964|3.260193|3.636782|4.811819|5.894100|4.590810|3.540015|2.920158|19.646834|2.271408|2.874478|1.857997|1.690286|1.528404|1.495498|1.604955|1.798394|14.430974|9.269726|0.249080|6.234888|0.171630|5.402645|3.955615|3.182673|2.667342|2.578373|2.886894|3.651430|5.891747|0.109509|6.185413|9.307241|0.245485|26.083364|5.912571|8.012595|9.820226|3.946403|0.059462|0.069086|0.065444|0.089076|0.137502|0.126158|0.071126|0.081171|0.047217|0.039818|0.038520|0.043147|0.086986|0.065697|0.062756|0.074151|0.131762|0.169927|0.500000| |2.759741|5.852251|3.727592|3.340162|3.482610|4.142759|4.977927|4.615909|4.718830|43.291239|4.659561|6.101694|3.475682|3.028078|2.522179|2.358266|2.544032|3.078363|24.404379|3.751020|0.089231|3.205144|0.077884|3.479123|3.223720|3.079668|2.714961|2.512309|2.566086|2.892932|3.917245|0.073871|3.716263|4.683038|0.118425|5.804940|7.177283|12.516426|16.384430|17.678382|0.071569|0.078330|0.069109|0.080149|0.084575|0.154815|0.104760|0.131579|0.086649|0.063847|0.058053|0.064852|0.088237|0.070616|0.063097|0.065267|0.103591|0.087276|0.102874|0.500000| 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