Version2.0 2020-02-03T14:59:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)NCc2nnc(n2CC=C)SCCC(=O)NC(c3ccccc3)c4ccccc4 C59265733 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)NCc2nnc(n2CC=C)SCCC(=O)NC(c3ccccc3)c4ccccc4 C01[X(C29H31N5O1S1)] 195 C1 606 C=CCn1c(SCCC(=O)NC(c2ccccc2)c2ccccc2)nnc1CNc1ccc(cc1)C C=CCn1c(SCCC(=O)NC(c2ccccc2)c2ccccc2)nnc1CNc1ccc(cc1)C Cc1ccc(NCc2nnc(SCCC(=O)NC(c3ccccc3)c4ccccc4)n2CC=C)cc1 InChIKey=DMDWMHJEOQBQBQ-UHFFFAOYSA-N InChI=1S/C29H31N5OS/c1-3-19-34-26(21-30-25-16-14-22(2)15-17-25)32-33-29(34)36-20-18-27(35)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3-17,28,30H,1,18-21H2,2H3,(H,31,35) InChI=1/C29H31N5OS/c1-3-19-34-26(21-30-25-16-14-22(2)15-17-25)32-33-29(34)36-20-18-27(35)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3-17,28,30H,1,18-21H2,2H3,(H,31,35)/f/h31H Cc1ccc(cc1)NCc2nnc(n2CC=C)SCCC(=O)NC(c3ccccc3)c4ccccc4 C01[X(C29H31N5O1S1)] 195 C01 606 C=CCn1c(SCCC(=O)NC(c2ccccc2)c2ccccc2)nnc1CNc1ccc(cc1)C C=CCN1[C@@H](SCCC(=O)NC(c2ccccc2)c2ccccc2)NN=C1CNc1ccc(cc1)C Cc1ccc(NCC2=NN[C@H](SCCC(=O)NC(c3ccccc3)c4ccccc4)N2CC=C)cc1 InChIKey=BAPZWTRKTAMBJF-LJAQVGFWSA-N InChI=1S/C29H33N5OS/c1-3-19-34-26(21-30-25-16-14-22(2)15-17-25)32-33-29(34)36-20-18-27(35)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3-17,28-30,33H,1,18-21H2,2H3,(H,31,35)/t29-/m0/s1 InChI=1/C29H33N5OS/c1-3-19-34-26(21-30-25-16-14-22(2)15-17-25)32-33-29(34)36-20-18-27(35)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3-17,28-30,33H,1,18-21H2,2H3,(H,31,35)/t29-/m0/s1/f/h31H 3495.3297036280 -1860.8311718 1-A 41879.4554 132 474 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96131 -20.52647 -15.63147 -15.58981 -15.57518 -15.56946 -15.56509 -11.35263 -11.32333 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 3.6972 6.8163 13.5311 18.3552 20.9308 26.9052 29.9886 36.9569 39.8862 44.1719 47.9366 59.0404 62.0430 73.8339 81.7417 88.6568 100.7825 103.2529 124.1419 142.6283 163.2369 178.2135 184.2848 210.5156 222.1542 248.8871 252.4683 294.7524 305.7155 314.3646 323.0560 332.6548 361.8204 371.3773 388.0997 395.9578 436.6961 453.9143 455.3823 458.4251 477.7502 483.4894 512.3426 520.9983 525.8498 541.9556 566.2249 576.4247 622.9380 653.6458 657.5489 669.4517 679.1807 685.1582 692.7174 705.4416 710.0965 750.8174 774.6722 778.7651 782.2795 785.0982 790.5679 802.0880 824.8690 837.6069 847.0717 858.9628 877.7821 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3257.7636 3275.4422 3279.7786 3290.1485 3300.9995 3322.8830 3331.3116 3342.0109 3350.8119 3351.9476 3353.6536 3354.0070 3358.2363 3360.6356 3362.6271 3370.7777 3371.4039 3371.6739 3381.6277 3383.9339 3389.7458 3392.7781 3394.6960 3414.3059 3799.2205 3888.0247 5.7636 5.7413 5.7598 5.0062 4.5587 4.3818 3.4488 4.4720 3.9849 4.8935 1.1824 5.5345 5.9149 4.5928 2.4740 3.6621 3.9245 4.1270 3.7775 3.8639 3.8073 3.0512 4.0525 5.2705 4.9846 4.6806 5.1052 3.1817 6.0846 4.8603 3.8019 4.7226 3.6336 3.9237 4.4316 2.9879 2.9483 2.8491 2.7477 3.0102 1.3536 3.5066 4.4359 4.0779 3.7898 3.7592 3.7524 3.4961 3.1084 1.8618 5.0828 3.7914 6.1337 4.2153 1.7490 6.0728 4.6449 5.4070 9.5998 2.0670 1.8907 3.1624 5.5178 3.1047 2.1187 1.6002 2.9728 1.6634 4.0224 3.1083 1.5548 3.5196 1.3582 4.0171 3.3104 1.2522 1.2472 1.6192 2.4822 1.4966 1.4545 1.3306 4.0293 1.5779 1.3568 6.1368 6.0386 1.3553 1.3736 1.8277 1.3801 2.1979 2.6374 2.2482 1.5289 2.0244 1.4276 2.4452 2.3195 1.3028 1.5011 2.1664 1.7797 2.6215 4.2999 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91.7182 26.1254 8.6233 81.4113 3.1579 14.0541 15.1222 2.2985 12.3557 3.9985 8.9790 12.7405 8.2284 16.4315 19.1799 76.2565 222.0050 588.7086 186.0543 37.3768 4.6155 3.7880 0.6344 5.7862 2.4703 72.3751 0.8647 277.0897 58.7923 12.6479 21.6638 35.2107 18.7680 15.8292 25.6603 16.2586 2.3623 5.1857 0.4035 16.0139 20.4370 6.5348 5.9490 3.5789 29.8045 0.8846 0.7825 23.5363 30.8780 0.5029 24.0889 38.3991 47.2814 19.4967 13.5908 19.3488 16.5503 16.3411 36.9424 0.5624 0.9725 2.0258 0.7823 2.6273 6.2946 5.8804 7.5255 1.3594 3.1696 1.2985 3.9041 1.9827 2.6470 2.3015 4.2184 1.9093 1.3071 2.9521 3.9125 1.3799 0.2890 3.1140 1.5907 0.7713 4.8267 1.7027 1.4962 0.9293 1.9884 2.2341 1.8478 2.5532 1.3501 0.6853 1.7652 2.7102 0.0574 0.2437 0.2136 0.4171 3.0176 1.5429 0.9151 0.2917 2.1302 1.6984 2.3203 1.5917 4.9828 3.9333 1.1763 7.4897 2.9736 8.7739 6.0872 2.8050 5.2910 1.9695 1.0013 1.8431 1.5003 5.6792 1.4850 14.4060 4.8392 14.6842 2.2677 18.0502 6.0796 1.0305 4.4567 3.8390 13.7384 23.7882 2.2633 3.1210 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756.58 779.75 814.67 829.35 896.27 940.45 946.07 963.19 977.19 985.79 996.67 1014.97 1021.67 1080.26 1114.58 1120.47 1125.53 1129.58 1137.45 1154.03 1186.80 1205.13 1218.75 1235.86 1262.93 1267.04 1327.05 1328.95 1335.63 1353.90 1372.41 1377.64 1384.53 1446.44 1487.53 1496.23 1503.23 1522.97 1548.51 1562.90 1563.58 1566.67 1569.81 1578.23 1584.23 1589.50 1591.94 1595.40 1600.61 1608.19 1617.84 1618.63 1624.00 1628.08 1630.51 1648.52 1690.43 1695.34 1705.09 1713.82 1722.06 1734.71 1746.53 1748.13 1763.10 1816.18 1826.76 1858.93 1867.86 1875.48 1878.41 1889.45 1891.38 1918.12 1921.63 1927.76 1934.14 1952.04 1962.81 2004.70 2016.52 2025.94 2059.00 2069.11 2079.06 2107.62 2111.69 2148.69 2165.33 2180.51 2181.03 2220.21 2236.31 2249.04 2257.52 2276.53 2304.33 2324.00 2333.48 2333.63 2344.95 2347.87 2360.65 2370.91 2392.87 2403.29 2405.01 2405.30 2427.91 2441.76 2450.57 2562.14 2566.29 2567.18 2571.23 2603.74 2608.28 2630.75 2701.09 2812.93 4602.19 4623.97 4634.47 4673.08 4686.03 4687.20 4712.63 4718.87 4733.79 4749.40 4780.89 4793.01 4808.41 4821.07 4822.70 4825.16 4825.67 4831.75 4835.21 4838.07 4849.80 4850.70 4851.09 4865.41 4868.73 4877.09 4881.45 4884.21 4912.42 5466.23 5594.00 0.592283 0.624941 0.625885 0.516136 -1860.238889 -1860.206231 -1860.205287 -1860.315035 3.680966D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE Cc1ccc(cc1)NCc2nnc(n2CC=C)SCCC(=O)NC(c3ccccc3)c4ccccc4 C59265733 RHF 6-31G(d) (6D,10F) C1 497.224933 |X|Y|Z| 193.678356 57.882399 31.902637 70.982518 31 6 7 16 25 5 1 |36.858105| |12.607163|36.858105| |7.532575|13.650147|36.858105| |5.009869|7.874239|13.845386|36.858105| |4.393436|6.743355|7.893848|13.623349|36.858105| |4.988099|7.853478|6.912080|7.981043|13.743629|36.858105| |7.527837|13.791564|8.041427|6.936390|7.904987|13.689238|36.858105| |3.319506|4.505533|5.180468|7.914444|13.562356|7.745095|5.121273|53.358707| |2.873722|3.702540|3.905024|5.107297|7.708146|6.541759|4.429439|17.880421|36.858105| |2.372979|2.919435|3.129579|3.959115|5.094826|4.351917|3.304961|10.733827|12.733612|36.858105| |2.135282|2.564085|2.737959|3.356372|4.073566|3.582782|2.850096|7.661505|7.738607|14.876406|53.358707| |1.891162|2.223857|2.380466|2.856719|3.309531|2.937616|2.422260|5.918016|5.301968|8.901907|18.997842|53.358707| |1.918300|2.261220|2.430103|2.930052|3.391041|2.986503|2.458171|6.127252|5.298160|8.909796|12.165578|20.209649|36.858105| |2.191888|2.647072|2.852134|3.538449|4.294591|3.699993|2.929643|8.349104|7.505813|13.939798|11.922343|11.902348|14.021737|53.358707| |2.268727|2.734894|2.937166|3.598321|4.292814|3.747832|3.013088|7.756146|6.107843|7.502805|7.226903|7.213358|7.498610|17.768462|36.858105| |2.179927|2.580423|2.658396|3.112288|3.738141|3.547998|2.910322|6.158321|5.184346|5.737326|5.970177|5.910502|5.604051|10.516176|12.652142|36.858105| |2.352231|2.777858|2.786683|3.180687|3.832518|3.828747|3.187338|5.860428|4.747135|4.618374|4.927945|4.688211|4.110060|7.308135|7.646827|14.452139|36.858105| |1.683270|1.937941|2.075535|2.427777|2.691939|2.418364|2.067356|4.532039|3.639290|4.955552|6.732006|9.530490|10.835569|9.456489|5.880931|4.855441|3.639136|388.023441| |1.508435|1.712952|1.823163|2.096772|2.293805|2.091056|1.817281|3.755530|3.032054|3.976499|6.039659|8.845987|6.947390|6.381799|3.877075|3.439518|2.779199|74.281932|36.858105| |1.368715|1.533861|1.628521|1.842919|1.978753|1.819733|1.610955|3.147923|2.473763|3.061261|4.467436|5.832987|4.635887|4.847532|3.197438|2.924873|2.436924|49.787042|12.483627|36.858105| |1.260451|1.400134|1.478135|1.654165|1.765816|1.640462|1.466937|2.762945|2.173155|2.620180|3.905256|4.903504|3.625953|3.945480|2.597335|2.425560|2.079813|32.943380|7.582608|12.516120|36.858105| |1.248228|1.385370|1.452865|1.621586|1.743364|1.633563|1.459854|2.721084|2.173968|2.614773|3.976557|4.956912|3.516117|3.838930|2.487885|2.359445|2.034947|29.690874|6.744723|7.993662|15.880920|73.516695| |1.182724|1.304175|1.379432|1.531645|1.613404|1.499140|1.354480|2.490889|1.923559|2.264870|3.323575|4.019558|2.990406|3.383004|2.282292|2.130858|1.859720|26.483088|5.196679|7.848326|14.082482|15.082739|53.358707| |1.097911|1.202044|1.265771|1.393091|1.460910|1.367512|1.245525|2.227734|1.717892|1.985114|2.922656|3.433692|2.498497|2.896579|1.960446|1.850939|1.642579|20.884483|3.880388|4.997944|7.729256|12.083086|17.814088|36.858105| |1.032010|1.123732|1.175071|1.283800|1.347551|1.273525|1.166280|2.036322|1.573931|1.795595|2.610152|3.014942|2.216782|2.619703|1.802128|1.735768|1.555235|18.448458|3.254242|4.107128|5.685328|9.590457|10.395320|12.476107|36.858105| |0.972238|1.053412|1.097281|1.191628|1.248285|1.186410|1.092357|1.871254|1.446242|1.630384|2.373650|2.693911|1.957007|2.344488|1.613601|1.563674|1.415940|15.776270|2.717879|3.223832|4.214788|7.634019|6.899026|7.590525|13.676315|36.858105| |0.921927|0.994596|1.031244|1.113884|1.166440|1.115549|1.031787|1.736745|1.342039|1.498290|2.161755|2.424254|1.772320|2.152296|1.497163|1.467545|1.339911|14.198578|2.368320|2.761157|3.405683|6.185424|5.294695|5.020456|7.892909|13.791299|36.858105| |0.921162|0.993304|1.028185|1.109601|1.163304|1.114812|1.031573|1.730452|1.336999|1.490707|2.129596|2.388032|1.770382|2.160580|1.519469|1.501590|1.372542|14.374953|2.350424|2.776208|3.309791|5.873690|5.076027|4.409843|6.818679|7.937210|13.722063|36.858105| |0.970983|1.050988|1.090663|1.182072|1.241562|1.185443|1.092522|1.857176|1.434980|1.612677|2.293782|2.601132|1.954152|2.368410|1.672475|1.650947|1.497403|16.294374|2.669639|3.279430|3.892003|6.635451|6.075959|4.970755|7.901319|6.902641|7.965974|13.789158|36.858105| |1.030646|1.121538|1.170159|1.276806|1.342294|1.272082|1.165660|2.025526|1.565410|1.782107|2.553622|2.945516|2.212278|2.633756|1.840647|1.792281|1.606398|18.831945|3.207634|4.156112|5.273650|8.548378|8.991051|7.440983|13.751682|7.976788|6.890301|7.925322|13.711690|36.858105| |1.067265|1.164129|1.231759|1.351101|1.401007|1.305796|1.196368|2.122276|1.612410|1.841877|2.697020|3.114024|2.264024|2.668692|1.818740|1.699798|1.521748|18.544485|3.276802|4.013852|5.270961|8.250120|10.702556|12.479405|7.465629|5.994432|4.281224|3.730294|4.015864|5.332046|36.858105| |1.085536|1.184737|1.258122|1.381512|1.426906|1.324514|1.213839|2.161328|1.635518|1.864695|2.759742|3.164475|2.256420|2.663091|1.794547|1.660473|1.489765|17.908704|3.160704|3.633173|4.577055|7.501121|8.011477|7.565600|5.077243|4.573222|3.467837|3.012982|3.142874|3.900504|13.698476|36.858105| |1.052310|1.143223|1.217367|1.330094|1.360360|1.261012|1.163124|2.043442|1.528026|1.719534|2.522309|2.838988|2.032145|2.442417|1.661461|1.533055|1.387591|15.883346|2.678906|2.998983|3.512671|5.781051|5.837578|5.011054|3.885532|3.658871|2.955638|2.612015|2.689329|3.189373|7.894041|13.759710|36.858105| |1.006410|1.088650|1.158211|1.259156|1.282037|1.191124|1.104133|1.913544|1.422554|1.587994|2.296837|2.566397|1.866414|2.270679|1.568868|1.455023|1.324361|14.731997|2.410980|2.739359|3.116383|5.054548|5.242953|4.413286|3.698045|3.493708|2.916135|2.624978|2.707116|3.151954|6.825272|7.937889|13.745684|36.858105| |0.991733|1.072513|1.137509|1.235961|1.263026|1.177282|1.090795|1.886068|1.406991|1.573488|2.259782|2.538630|1.870249|2.273640|1.584624|1.480829|1.346299|15.075966|2.460566|2.891039|3.309575|5.263077|5.819281|4.982457|4.372002|4.016182|3.350093|3.057425|3.204988|3.774744|7.900724|6.894886|7.956524|13.759001|36.858105| |1.019214|1.106355|1.170290|1.276587|1.315459|1.228228|1.132096|1.977105|1.489268|1.682051|2.425351|2.762767|2.040022|2.447715|1.698270|1.594255|1.438648|16.767382|2.816988|3.443978|4.151228|6.461385|7.957783|7.467435|6.343011|5.341591|4.163171|3.766176|4.071795|5.156206|13.709486|7.964918|6.883912|7.928349|13.740444|36.858105| |17.536604|8.824290|6.682198|4.585752|3.938412|4.275751|5.864113|4.179473|2.646871|2.231351|2.727608|2.450255|1.844775|2.861862|2.211379|2.126370|2.305395|11.674446|1.464809|1.338912|1.230445|2.156559|1.577927|1.075360|1.012659|0.953093|0.905090|0.906391|0.956631|1.014173|1.047662|1.063041|1.032845|0.991843|0.979267|1.004693|0.500000| |17.573483|8.842066|5.560588|4.165806|3.936424|4.727459|7.216699|4.162103|2.747866|2.271209|2.792663|2.475482|1.840925|2.853442|2.168433|2.126260|2.317809|11.513889|1.456765|1.323520|1.222823|2.161259|1.559696|1.066332|1.006440|0.950299|0.903630|0.903798|0.951189|1.006413|1.033289|1.048612|1.014414|0.970394|0.958120|0.986617|0.302016|0.500000| |17.537758|8.824989|6.683380|4.584611|3.939255|4.279543|5.866890|4.172374|2.667852|2.236389|2.785583|2.471811|1.823692|2.798082|2.095066|1.996642|2.119143|11.403172|1.453776|1.321592|1.224294|2.158158|1.568446|1.074010|1.007992|0.952148|0.902161|0.898768|0.944764|1.002989|1.048067|1.070404|1.041111|0.994817|0.976764|1.000661|0.302277|0.302036|0.500000| |6.989033|8.893148|17.688704|8.995762|5.635874|4.970185|5.685805|5.731460|3.276571|2.749518|3.341764|2.964340|2.222780|3.476658|2.632362|2.378481|2.472362|13.772400|1.716376|1.549188|1.412139|2.459196|1.807580|1.222658|1.135135|1.061695|0.998315|0.994640|1.053587|1.129347|1.197620|1.225705|1.193239|1.138967|1.116340|1.142528|0.189614|0.140195|0.189603|0.500000| |4.091421|5.620109|8.954118|17.694260|8.894980|5.663907|4.983093|9.939063|4.716520|3.936256|4.613731|4.004915|3.030012|4.902689|3.632452|3.030584|3.009789|17.999419|2.183759|1.922453|1.718908|2.973689|2.175085|1.448545|1.326361|1.227272|1.142673|1.136421|1.212867|1.316102|1.413285|1.450468|1.401545|1.326398|1.297811|1.336010|0.108206|0.095906|0.108081|0.217600|0.500000| |4.091073|5.635304|4.975531|5.647460|8.877174|17.749518|8.959593|9.504325|7.294933|4.673698|5.198396|4.203469|3.123645|5.296550|3.886745|3.846488|4.198534|17.766919|2.162620|1.868923|1.686029|3.005968|2.081535|1.394671|1.302946|1.214285|1.143311|1.143805|1.216295|1.303370|1.321545|1.336024|1.264483|1.192067|1.181517|1.239046|0.099400|0.113247|0.099570|0.107869|0.123947|0.500000| |6.963800|8.945749|5.681987|4.983482|5.648988|8.961277|17.697242|5.659895|3.870166|2.973122|3.548230|3.045943|2.263231|3.617831|2.733698|2.726009|3.027974|13.695160|1.708529|1.523027|1.395384|2.479749|1.754877|1.190910|1.121443|1.054117|0.999546|1.000492|1.056950|1.122513|1.141357|1.155269|1.106128|1.051457|1.040776|1.081229|0.151522|0.221018|0.151702|0.124440|0.108011|0.218862|0.500000| |3.092927|4.074705|4.898601|7.506365|9.521506|5.896510|4.350751|25.955478|9.348013|7.451915|7.978646|6.204207|4.580129|7.958991|5.123166|3.953760|3.655195|24.047342|2.854731|2.382818|2.096451|3.656824|2.580526|1.694617|1.534455|1.408656|1.300162|1.289213|1.382526|1.516016|1.625521|1.669402|1.583343|1.476083|1.445398|1.509602|0.079914|0.078297|0.081460|0.115619|0.223118|0.147019|0.099717|0.500000| |2.855130|3.633197|3.736862|4.685637|6.745256|6.291204|4.394795|12.183759|17.541528|9.102619|10.144242|6.689218|4.533525|7.690128|4.594602|4.139338|3.885853|22.852604|2.826427|2.317274|2.081502|3.752280|2.512189|1.667970|1.529403|1.416456|1.315024|1.303199|1.388672|1.510583|1.567361|1.600020|1.496285|1.386975|1.365258|1.442465|0.071738|0.076610|0.074758|0.087483|0.118727|0.201884|0.108925|0.210866|0.500000| |2.904836|3.712463|3.744546|4.655847|6.959381|6.881924|4.628776|12.518875|17.600905|9.007956|8.136380|6.209032|4.787178|9.271503|6.362538|6.118752|5.972041|24.722650|2.856482|2.370651|2.080516|3.702993|2.510240|1.649451|1.528241|1.405806|1.313524|1.316752|1.414859|1.532947|1.540873|1.549028|1.445942|1.354600|1.348816|1.431055|0.074694|0.078569|0.073473|0.086937|0.115890|0.240418|0.115617|0.181915|0.301607|0.500000| |2.568420|3.174106|3.479003|4.410162|5.330059|4.425547|3.483391|9.816726|6.711563|6.996381|6.626446|6.182564|5.768887|12.565051|17.645954|8.882302|7.249384|32.603796|3.287999|2.777472|2.313776|3.948242|2.817225|1.801739|1.657469|1.496023|1.391486|1.407799|1.538671|1.684515|1.694452|1.685226|1.577639|1.493942|1.500124|1.591198|0.069691|0.067337|0.065222|0.085339|0.123407|0.122957|0.085534|0.171252|0.134873|0.192722|0.500000| |2.083818|2.463825|2.671972|3.214450|3.629244|3.166972|2.642464|6.251135|4.656342|5.713466|6.172407|6.654765|7.110118|12.592164|17.593802|8.906691|6.034434|48.623577|4.159806|3.520564|2.773954|4.611516|3.338229|2.074889|1.901188|1.684931|1.559277|1.589537|1.765783|1.955831|1.928681|1.888913|1.748332|1.659790|1.686286|1.810639|0.057052|0.055139|0.053853|0.068041|0.092587|0.089358|0.066947|0.121516|0.103580|0.130231|0.303215|0.500000| |1.957162|2.276336|2.330904|2.684944|3.165318|3.044843|2.550774|5.142650|4.430349|5.166124|5.797084|6.047811|5.745634|9.355536|8.649799|17.677451|9.151861|37.875775|3.771352|3.201452|2.634353|4.581655|3.103621|1.969232|1.858029|1.666259|1.565691|1.609671|1.779474|1.932263|1.782135|1.725530|1.578136|1.495857|1.531738|1.664968|0.052967|0.053367|0.050275|0.058589|0.073110|0.092268|0.067348|0.094792|0.103495|0.140025|0.171724|0.204652|0.500000| |2.202485|2.541072|2.497462|2.769702|3.274915|3.387817|2.917862|4.833874|3.949095|3.839657|4.306811|4.138206|3.521978|5.849764|5.481697|9.108563|17.720044|22.937226|2.556417|2.280235|1.973452|3.456660|2.409515|1.575643|1.507930|1.379391|1.314558|1.352260|1.471952|1.565193|1.454758|1.417862|1.319862|1.263318|1.288797|1.379252|0.060054|0.061166|0.055210|0.062090|0.072501|0.104500|0.079159|0.085440|0.094433|0.135816|0.142990|0.130006|0.218315|0.500000| |2.667694|3.205742|3.211711|3.671274|4.447385|4.458477|3.695604|6.520880|4.915922|4.442188|4.692100|4.352865|3.732546|6.709029|6.943656|9.084249|17.690453|23.221640|2.540265|2.241175|1.929628|3.347631|2.373963|1.549529|1.462624|1.336952|1.264712|1.290945|1.402151|1.503105|1.450731|1.429153|1.341419|1.282388|1.297606|1.376161|0.073028|0.072535|0.065699|0.078132|0.094777|0.132259|0.095971|0.109854|0.110403|0.172365|0.217662|0.154098|0.173400|0.289038|0.500000| |1.534066|1.745891|1.874241|2.167282|2.352877|2.119093|1.840719|3.872723|3.087390|4.061667|6.442565|9.593628|6.712569|6.222073|3.672042|3.162440|2.600790|56.548354|17.653393|8.789706|6.752554|10.971110|6.777228|3.842988|3.116484|2.644639|2.280857|2.222924|2.479483|2.972698|3.367864|3.387940|2.880391|2.537344|2.528457|2.850196|0.041262|0.040965|0.041304|0.049160|0.063319|0.060369|0.047803|0.083709|0.080866|0.078754|0.089168|0.107817|0.093082|0.066012|0.067335|0.500000| |1.488250|1.686897|1.775131|2.029484|2.246269|2.080991|1.806811|3.654611|3.037713|3.967136|6.185777|8.960905|6.479254|6.121602|3.674227|3.408234|2.771802|56.329879|17.687966|8.822133|6.998186|13.124431|6.415528|3.722565|3.216044|2.735337|2.402060|2.378841|2.673193|3.161226|3.071470|2.962066|2.501828|2.246598|2.292192|2.629823|0.039967|0.040175|0.039827|0.046196|0.057956|0.060563|0.047543|0.076166|0.079984|0.080296|0.086520|0.105156|0.106323|0.071852|0.069624|0.302750|0.500000| |1.343562|1.500929|1.582273|1.779932|1.917824|1.781762|1.582087|3.026210|2.388517|2.914183|4.143597|5.252024|4.309215|4.674615|3.194921|3.025518|2.520385|47.260554|8.825210|17.524642|9.030862|11.942397|8.886596|4.479093|4.010368|3.152229|2.778202|2.881530|3.490137|4.340712|3.577973|3.164572|2.662491|2.492711|2.679148|3.191012|0.036605|0.036228|0.035890|0.041748|0.051186|0.051083|0.041758|0.062688|0.061857|0.064767|0.076311|0.098301|0.094172|0.066268|0.063576|0.172889|0.209720|0.500000| |1.371310|1.535079|1.643220|1.860681|1.972162|1.796767|1.597508|3.127617|2.399623|2.933612|4.204222|5.352381|4.335002|4.674226|3.156332|2.820703|2.368791|46.396029|8.814068|17.560533|8.812144|10.480040|10.237381|4.791713|3.879636|3.053698|2.621116|2.637980|3.113978|3.932364|4.142851|3.760112|3.171466|2.938025|3.110061|3.655854|0.037425|0.036660|0.036823|0.043689|0.054458|0.050731|0.041760|0.066317|0.062029|0.063583|0.077298|0.098955|0.083751|0.061117|0.061296|0.211784|0.173139|0.302816|0.500000| |1.189940|1.311614|1.393620|1.547912|1.619765|1.497420|1.355525|2.497691|1.905310|2.234500|3.232547|3.884482|2.951084|3.373644|2.309734|2.136682|1.866556|26.668039|4.903178|7.511346|9.380391|10.870261|26.086988|9.022271|6.239814|4.366529|3.499049|3.438133|4.154504|5.911427|7.460745|5.617091|4.348682|4.067196|4.628605|6.252989|0.032514|0.031935|0.032188|0.037395|0.045094|0.042202|0.035742|0.052925|0.050417|0.050744|0.058414|0.069949|0.063011|0.049154|0.048842|0.131368|0.118255|0.176353|0.238334|0.500000| |1.109854|1.216578|1.278595|1.408470|1.483098|1.391012|1.264391|2.265238|1.760655|2.039591|3.048919|3.584688|2.547290|2.935748|1.957841|1.850098|1.641668|20.690378|3.948675|4.752293|7.554502|14.054719|12.748899|17.635604|9.012866|7.095603|4.745971|4.021937|4.293392|5.813979|8.957245|7.342608|4.800610|4.001706|4.211435|5.633329|0.030083|0.029979|0.030205|0.034227|0.040581|0.039525|0.033615|0.047932|0.047868|0.046780|0.050003|0.056884|0.054709|0.043755|0.043004|0.110882|0.108727|0.116343|0.121421|0.183627|0.500000| |0.967216|1.047385|1.091984|1.185325|1.239427|1.176941|1.084568|1.855999|1.432986|1.612194|2.364114|2.670595|1.915564|2.295940|1.568994|1.512424|1.372088|15.167345|2.625434|3.027912|3.951543|7.324845|6.342232|7.103184|8.904602|17.697697|8.946961|5.648436|4.965843|5.661577|6.202864|5.097030|4.034600|3.722157|4.092593|5.221757|0.026293|0.026245|0.026385|0.029381|0.033943|0.033417|0.029058|0.038961|0.039190|0.038508|0.040597|0.045282|0.044525|0.037043|0.036129|0.072464|0.073507|0.080372|0.080035|0.111689|0.207483|0.500000| |0.884348|0.951054|0.984016|1.059010|1.107167|1.062074|0.985732|1.640580|1.266621|1.404190|2.026726|2.250621|1.635764|2.001210|1.392262|1.367307|1.255949|12.896146|2.127455|2.419235|2.924003|5.383036|4.436543|4.105254|5.629067|8.940345|17.713469|8.900517|5.656075|4.960720|3.692007|3.144617|2.752833|2.717052|3.045647|3.607331|0.024104|0.024108|0.024082|0.026492|0.030129|0.030229|0.026579|0.034108|0.034627|0.034444|0.036124|0.040065|0.040368|0.034295|0.033031|0.057418|0.060203|0.067262|0.064025|0.082418|0.112142|0.216300|0.500000| |0.883182|0.949086|0.979348|1.052541|1.102460|1.060983|0.985436|1.631256|1.259162|1.393199|1.980257|2.199788|1.633155|2.013203|1.424642|1.417301|1.304814|13.134322|2.104663|2.437562|2.817746|5.027022|4.211818|3.530986|4.923632|5.644220|8.893918|17.715970|8.915130|5.636450|3.099311|2.589692|2.300240|2.328951|2.677022|3.169005|0.024162|0.024116|0.023934|0.026336|0.029868|0.030251|0.026621|0.033657|0.034134|0.034580|0.036791|0.041270|0.042147|0.035878|0.034129|0.055329|0.059369|0.070718|0.064602|0.080611|0.091418|0.124203|0.214305|0.500000| |0.965843|1.044113|1.081490|1.169943|1.229106|1.176459|1.085881|1.833906|1.415358|1.584209|2.231801|2.519436|1.913952|2.339868|1.671619|1.663897|1.514338|16.046080|2.554806|3.119405|3.515361|5.934444|5.308599|4.058248|5.636028|4.966850|5.653975|8.925273|17.710201|8.918626|3.398478|2.739111|2.395414|2.432628|2.857818|3.503675|0.026488|0.026310|0.026047|0.029015|0.033285|0.033548|0.029222|0.037756|0.037905|0.038987|0.042683|0.049167|0.049948|0.041536|0.039306|0.065240|0.070930|0.094763|0.082794|0.104076|0.098906|0.107733|0.124171|0.214754|0.500000| |1.077347|1.176367|1.230598|1.348149|1.419082|1.339631|1.223232|2.152533|1.661441|1.905147|2.712079|3.160728|2.415349|2.857921|2.008768|1.949931|1.733564|21.256321|3.601227|4.947029|5.988744|8.962055|10.234830|6.862687|8.921710|5.658549|4.962938|5.652304|8.935557|17.740088|5.039394|3.758090|3.100474|3.069768|3.657226|4.903421|0.029490|0.029176|0.029047|0.032953|0.038678|0.038106|0.032638|0.044716|0.044187|0.045244|0.050711|0.059970|0.058628|0.046759|0.044896|0.090615|0.096453|0.149140|0.131278|0.198424|0.147672|0.124237|0.107689|0.124258|0.216312|0.500000| |1.122012|1.228523|1.304075|1.436970|1.491438|1.383676|1.262917|2.270037|1.730195|1.985503|2.984028|3.440804|2.404584|2.809156|1.864230|1.720637|1.538257|18.749770|3.406317|3.776657|4.866331|8.372425|7.825701|7.062266|4.712048|4.310398|3.289493|2.851351|2.957370|3.638522|8.912790|17.701431|8.932590|5.648655|4.962117|5.655700|0.030406|0.030119|0.030757|0.035178|0.041857|0.038867|0.033372|0.048844|0.047283|0.045279|0.048536|0.054078|0.049720|0.040598|0.040939|0.103863|0.089796|0.089670|0.105422|0.143842|0.224744|0.135960|0.083709|0.068493|0.071935|0.097728|0.500000| 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