Version2.1 2021-01-07T02:06:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(n(c1)c2ccc(cn2)Cl)C[NH+]3CCOc4ccc(cc4C3)C[NH+]5CCCC[C@@H]5CO C11881812 RHF 6-31G(d) (6D,7F) c1cc(n(c1)c2ccc(cn2)Cl)C[NH+]3CCOc4ccc(cc4C3)C[NH+]5CCCC[C@@H]5CO C01[X(C26H33Cl1N4O2)] 192 C1 565 OC[C@H]1CCCC[NH+]1Cc1ccc2c(c1)C[NH+](CCO2)Cc1cccn1c1ccc(cn1)Cl OC[C@H]1CCCC[NH+]1Cc1ccc2c(c1)C[NH+](CCO2)Cc1cccn1c1ccc(cn1)Cl OC[C@H]1CCCC[NH+]1Cc2ccc3OCC[NH+](Cc4cccn4c5ccc(Cl)cn5)Cc3c2 InChIKey=WEJNKRFBAPXTHA-XMMPIXPASA-P InChI=1S/C26H31ClN4O2/c27-22-7-9-26(28-15-22)31-11-3-5-23(31)18-29-12-13-33-25-8-6-20(14-21(25)17-29)16-30-10-2-1-4-24(30)19-32/h3,5-9,11,14-15,24,32H,1-2,4,10,12-13,16-19H2/p+2/t24-/m1/s1 InChI=1/C26H31ClN4O2/c27-22-7-9-26(28-15-22)31-11-3-5-23(31)18-29-12-13-33-25-8-6-20(14-21(25)17-29)16-30-10-2-1-4-24(30)19-32/h3,5-9,11,14-15,24,32H,1-2,4,10,12-13,16-19H2/p+2/t24-/m1/s1/fC26H33ClN4O2/h29-30H/q+2 c1cc(n(c1)c2ccc(cn2)Cl)C[NH+]3CCOc4ccc(cc4C3)C[NH+]5CCCC[C@@H]5CO C01[X(C26H33Cl1N4O2)] 192 C01 565 OC[C@H]1CCCC[NH+]1Cc1ccc2c(c1)C[NH+](CCO2)Cc1cccn1c1ccc(cn1)Cl OC[C@H]1CCCC[NH]1C[C]1[CH][CH][C]2[C]([CH]1)C[NH](CCO2)CC1=[CH][CH]=CN1[C]1[CH][CH][C]([CH][N]1)Cl OC[C@H]1CCCC[NH]1C[C]2[CH][CH][C]3OCC[NH](C[C]3[CH]2)Cc4cccn4[C]5[CH][CH][C](Cl)[CH][N]5 InChIKey=LQNXFBYZKFRZJZ-XMMPIXPASA-N InChI=1S/C26H33ClN4O2/c27-22-7-9-26(28-15-22)31-11-3-5-23(31)18-29-12-13-33-25-8-6-20(14-21(25)17-29)16-30-10-2-1-4-24(30)19-32/h3,5-9,11,14-15,24,29-30,32H,1-2,4,10,12-13,16-19H2/t24-/m1/s1 InChI=1/C26H33ClN4O2/c27-22-7-9-26(28-15-22)31-11-3-5-23(31)18-29-12-13-33-25-8-6-20(14-21(25)17-29)16-30-10-2-1-4-24(30)19-32/h3,5-9,11,14-15,24,29-30,32H,1-2,4,10,12-13,16-19H2/t24-/m1/s1 3431.1201446304 -1830.303955 1-A 27747.2513 124 441 565 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0.5272 0.2601 0.0350 0.0796 0.4096 0.7221 0.6631 0.7259 0.4962 0.6380 0.6979 0.7394 0.1022 0.2900 0.7068 0.3342 0.7362 0.6917 0.0733 0.6111 0.4266 0.6497 0.2189 0.1769 0.7497 0.6433 0.4273 0.1475 0.2481 0.0673 0.4079 0.7367 0.2046 0.1909 0.6770 0.4223 0.6496 0.3118 0.3900 0.6035 0.1283 0.6180 0.3325 0.2022 0.4079 0.4565 0.1767 0.2257 0.3087 0.7383 0.6359 0.7469 0.1420 0.4378 0.6138 0.3172 0.6064 0.7276 0.7468 0.7497 0.4198 0.5001 0.2192 0.4329 0.2111 0.4684 0.4332 0.7283 0.5952 0.1722 0.0859 0.5143 0.2392 0.7300 0.1035 0.4243 0.6344 0.6140 0.3181 0.7499 0.6421 0.4408 0.7360 0.1035 0.7441 0.6037 0.3364 0.7314 0.2702 0.4124 0.7444 0.3395 0.5219 0.4455 0.6257 0.4723 0.6341 0.6526 0.5207 0.4163 0.7033 0.1958 0.6843 0.6533 0.7296 0.6425 0.2909 0.4035 0.6253 0.4158 0.5285 0.4390 0.7499 0.4905 0.7447 0.4331 0.5062 0.7339 0.7497 0.7498 0.7321 0.3907 0.3878 0.7037 0.1946 0.5239 0.2653 0.3965 0.6725 0.1505 0.3636 0.1821 0.1041 0.1180 0.5083 0.5976 0.1016 0.4262 0.1048 0.3094 0.6196 0.5523 0.0297 0.0811 0.3128 0.7044 0.4644 0.2518 0.6086 0.3861 0.3524 0.3992 0.2578 0.5695 0.4384 0.2224 0.1563 0.3577 0.1547 0.1232 0.2356 0.3047 0.8568 0.8571 0.8525 0.8558 0.8274 0.8571 0.7922 0.8567 0.8548 0.8434 0.5479 0.8455 0.5523 0.8476 0.6754 0.6629 0.8570 0.5112 0.0986 0.8569 0.1140 0.7444 0.7578 0.5986 0.8460 0.8559 0.5645 0.8424 0.4647 0.8473 0.6904 0.4128 0.0677 0.1475 0.5812 0.8386 0.7974 0.8412 0.6633 0.7790 0.8221 0.8502 0.1855 0.4496 0.8282 0.5010 0.8481 0.8178 0.1366 0.7586 0.5981 0.7877 0.3592 0.3006 0.8570 0.7829 0.5987 0.2570 0.3976 0.1261 0.5795 0.8484 0.3398 0.3206 0.8074 0.5938 0.7876 0.4754 0.5611 0.7528 0.2274 0.7639 0.4991 0.3364 0.5794 0.6268 0.3003 0.3683 0.4718 0.8495 0.7774 0.8551 0.2486 0.6090 0.7607 0.4816 0.7550 0.8424 0.8550 0.8569 0.5913 0.6667 0.3596 0.6042 0.3485 0.6380 0.6045 0.8428 0.7463 0.2938 0.1582 0.6793 0.3861 0.8439 0.1875 0.5958 0.7763 0.7608 0.4827 0.8571 0.7820 0.6118 0.8480 0.1875 0.8533 0.7529 0.5035 0.8448 0.4255 0.5840 0.8535 0.5069 0.6859 0.6164 0.7697 0.6416 0.7761 0.7898 0.6848 0.5879 0.8258 0.3275 0.8126 0.7903 0.8436 0.7824 0.4507 0.5750 0.7694 0.5874 0.6916 0.6102 0.8571 0.6581 0.8536 0.6044 0.6722 0.8465 0.8569 0.8570 0.8453 0.5619 0.5589 0.8261 0.3258 0.6876 0.4193 0.5679 0.8042 0.2616 0.5333 0.3080 0.1886 0.2111 0.6740 0.7481 0.1844 0.5977 0.1898 0.4726 0.7651 0.7116 0.0577 0.1500 0.4766 0.8266 0.6343 0.4022 0.7566 0.5571 0.5212 0.5706 0.4099 0.7257 0.6096 0.3639 0.2703 0.5269 0.2679 0.2194 0.3813 0.4671 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 63 64 65 66 6 6 6 7 6 6 6 6 6 6 7 17 6 7 1 6 6 8 6 6 6 6 6 6 6 6 7 1 6 6 6 6 6 1 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 34.96885 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 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 7035.6213 46387.9380 48853.8237 0.99994 0.00936 -0.00499 -0.00946 0.99975 -0.02026 0.00480 0.02030 0.99978 1 0.01231 0.00187 0.00177 0.25651 0.03891 0.03694 16.32 22.79 32.85 48.46 56.78 68.92 78.74 109.61 115.55 138.41 165.40 176.72 184.41 213.65 260.54 273.89 286.79 319.64 380.74 391.53 403.07 422.57 438.35 449.14 468.47 472.80 492.39 516.43 540.64 572.41 593.52 602.87 621.44 631.74 669.40 680.96 684.24 691.16 713.84 742.60 772.51 811.82 836.61 846.00 866.33 886.93 940.58 960.19 977.36 1003.13 1014.39 1042.63 1136.65 1158.18 1193.90 1207.46 1210.71 1226.05 1231.67 1244.18 1270.82 1283.31 1300.10 1355.71 1370.81 1372.34 1381.69 1393.99 1407.51 1426.55 1431.91 1445.56 1464.06 1480.07 1492.38 1498.42 1508.22 1526.95 1537.24 1543.58 1570.29 1574.36 1582.77 1610.26 1615.62 1619.51 1631.29 1639.36 1645.69 1675.19 1682.28 1693.79 1726.22 1734.53 1737.94 1752.59 1771.82 1775.88 1797.31 1807.87 1813.29 1832.58 1843.09 1866.28 1881.48 1917.09 1930.78 1949.59 1951.40 1958.58 1983.96 1995.78 2003.49 2017.12 2039.92 2049.16 2062.07 2071.56 2102.13 2105.68 2113.51 2127.90 2130.76 2138.13 2153.03 2168.39 2206.38 2215.42 2218.80 2219.62 2224.68 2227.74 2238.79 2262.29 2263.35 2264.75 2287.19 2293.52 2297.65 2308.36 2314.54 2339.30 2344.38 2350.23 2352.47 2358.30 2364.39 2365.65 2369.07 2377.17 2382.14 2392.21 2429.47 2446.19 2526.20 2551.98 2569.49 2588.75 2618.18 4623.93 4632.01 4643.06 4659.31 4666.56 4695.95 4703.74 4714.85 4719.87 4724.64 4732.89 4734.81 4738.32 4741.80 4742.12 4788.03 4803.73 4807.40 4832.84 4836.01 4849.10 4866.46 4887.40 4896.95 4902.15 4905.35 4906.75 4927.13 4968.51 5013.19 5304.82 5310.88 5895.25 0.613418 0.640715 0.641660 0.551657 -1829.690537 -1829.663240 -1829.662295 -1829.752298 3.018715D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE c1cc(n(c1)c2ccc(cn2)Cl)C[NH+]3CCOc4ccc(cc4C3)C[NH+]5CCCC[C@@H]5CO C11881812 RHF 6-31G(d) (6D,10F) C1 468.229204 |X|Y|Z| 153.723201 51.779190 37.882999 67.057343 30 6 7 8 25 4 1 |36.858105| |13.437482|36.858105| |8.463780|14.004431|36.858105| |8.539921|8.566544|13.702223|53.358707| |14.084435|8.580961|8.553534|18.898879|36.858105| |5.317890|5.281201|7.521236|18.311359|7.763872|36.858105| |4.487846|4.124083|5.103135|10.655246|6.492752|13.697748|36.858105| |3.402689|3.228772|3.895575|7.046575|4.448538|8.014234|13.806714|36.858105| |3.048741|3.030510|3.732454|6.288524|3.797381|7.034665|7.996942|13.753858|36.858105| |3.316885|3.453674|4.488892|7.300864|4.071512|8.380278|7.035718|8.027755|13.813823|36.858105| |4.227144|4.538201|6.508190|11.131299|5.353114|14.503611|8.028106|6.917788|8.029666|14.391831|53.358707| |2.391488|2.382523|2.807381|4.434432|2.835661|4.297370|4.778288|7.012913|11.036963|7.054393|6.568112|448.794386| |5.156469|7.530069|12.805321|10.072638|5.183884|5.997745|4.241662|3.531241|3.621723|4.587409|8.729412|22.505102|36.858105| |4.244501|5.710062|7.556626|7.451552|4.213730|4.784944|3.744972|3.208595|3.257038|3.913916|6.720237|20.953451|12.408047|53.358707| |4.511353|6.264322|7.209588|6.955415|4.217342|4.229668|3.430533|2.910582|2.879010|3.340626|5.631374|18.800893|9.273464|25.698377|0.500000| |3.972168|4.771346|6.277390|7.551855|4.235708|5.321798|4.360872|3.738122|3.719601|4.320039|7.178628|23.508790|7.579656|17.284796|0.258741|36.858105| |3.236927|3.718465|4.341002|5.411403|3.347454|3.851189|3.454670|3.092513|3.047587|3.344961|5.139464|20.437321|4.904905|10.257649|0.196420|12.555007|36.858105| |2.700926|3.108553|3.575133|4.417837|2.764315|3.217625|2.896153|2.696860|2.753554|3.046716|4.513360|19.193099|4.253693|8.528344|0.158555|7.816114|13.533326|73.516695| |2.590831|3.043307|3.384828|4.028656|2.568542|2.845119|2.532519|2.347080|2.402247|2.680232|4.006902|16.918043|4.111262|8.227135|0.163509|6.001333|8.088428|25.039221|36.858105| |2.245634|2.571590|2.761110|3.357269|2.208303|2.374845|2.168215|2.032349|2.065936|2.254423|3.306897|14.887054|3.197704|5.807291|0.120647|4.273721|5.636525|14.361312|13.756761|36.858105| |2.099201|2.410141|2.526830|3.041686|2.030207|2.127343|1.937681|1.816307|1.848973|2.021011|2.967348|13.419317|2.913212|5.044535|0.107204|3.486823|4.178908|9.360817|7.971494|13.795398|36.858105| |2.195538|2.574494|2.680686|3.147361|2.094494|2.171923|1.944621|1.811153|1.854180|2.056839|3.055912|13.370350|3.161991|5.389129|0.115529|3.460153|3.848152|8.198302|6.855880|7.895675|13.674642|36.858105| |2.517813|3.051918|3.244971|3.685944|2.397485|2.518195|2.198112|2.026409|2.088797|2.368124|3.587798|14.802166|4.043006|7.174541|0.151896|4.220469|4.432317|9.320025|7.961527|6.878977|7.960318|13.725834|36.858105| |2.792849|3.416948|3.812957|4.311863|2.716870|2.972380|2.561318|2.346759|2.424659|2.779739|4.259237|16.881461|4.966470|10.228005|0.201939|5.949996|6.337352|14.250008|13.707957|7.893312|6.854122|7.866913|13.691765|36.858105| |3.242814|4.129186|4.978009|5.365297|3.204406|3.690620|3.021848|2.732482|2.871786|3.445090|5.493462|19.385966|7.640163|17.207242|0.256931|7.599238|6.235486|11.938529|7.570533|5.020968|4.444405|5.009030|7.555109|12.622145|36.858105| |1.973597|2.283003|2.323193|2.752354|1.866218|1.895852|1.711275|1.600926|1.636473|1.802176|2.659300|11.927338|2.668894|4.270577|0.091926|2.755063|2.966488|6.001512|4.439837|5.023735|7.575776|12.594529|7.529363|4.994814|3.772553|36.858105| |1.734927|1.974898|2.030144|2.452090|1.662773|1.719656|1.566299|1.486280|1.531775|1.678419|2.434510|11.343971|2.322250|3.626722|0.075802|2.405586|2.579242|5.294177|3.743093|4.279466|6.000881|7.560785|5.378177|4.022805|3.204109|12.614302|53.358707| |1.689546|1.909076|1.975121|2.409233|1.631752|1.702550|1.561635|1.488517|1.533170|1.670063|2.406692|11.405666|2.249548|3.554777|0.073881|2.415821|2.648775|5.542838|3.916049|4.734230|6.820606|7.305373|5.027696|3.979483|3.120024|9.320509|25.675728|0.500000| |1.729868|1.977942|2.062589|2.489279|1.670518|1.762128|1.593449|1.522056|1.589032|1.758397|2.536627|11.820067|2.403623|3.684022|0.075042|2.416818|2.518776|5.205216|3.607224|3.851353|4.869707|6.187630|5.276825|4.033358|3.361855|7.667582|17.208221|0.256938|36.858105| |1.533481|1.725152|1.803018|2.216667|1.494613|1.589772|1.454044|1.405264|1.472870|1.615103|2.293700|11.129980|2.070062|3.115031|0.062808|2.100804|2.189727|4.502142|2.981144|3.200441|3.820322|4.308090|3.801332|3.181977|2.763404|4.955859|10.335449|0.196895|12.528560|36.858105| |1.414480|1.576907|1.624908|2.007737|1.370961|1.433001|1.319704|1.274063|1.325837|1.441825|2.047923|10.047382|1.830058|2.717610|0.055489|1.840501|1.916388|3.844462|2.504357|2.705964|3.223828|3.576539|3.137021|2.648696|2.334274|4.358900|8.792054|0.163371|7.609175|12.496552|36.858105| |1.418246|1.576633|1.609921|1.989011|1.367407|1.410278|1.304462|1.252975|1.292009|1.396744|1.993374|9.748474|1.794476|2.696566|0.055856|1.836681|1.944169|3.882955|2.551779|2.847754|3.506927|3.805934|3.165196|2.649404|2.281441|4.919408|10.367535|0.198465|6.563768|7.629453|12.484934|36.858105| |1.569338|1.762235|1.786297|2.179013|1.498454|1.526590|1.402816|1.334117|1.368442|1.486084|2.146225|10.203169|1.997821|3.041118|0.063961|2.038491|2.167350|4.315635|2.917979|3.289007|4.283534|4.926419|3.873566|3.084606|2.583652|7.507104|17.022920|0.260486|7.574895|6.423228|7.437761|12.423791|36.858105| |1.592348|1.793956|1.804403|2.188544|1.510101|1.523839|1.394417|1.321678|1.355173|1.476446|2.142068|10.073786|2.014951|3.022709|0.063849|1.996841|2.087148|4.089909|2.745836|2.994429|3.792155|4.549033|3.780929|2.983191|2.555901|6.982802|12.358791|0.182671|6.913704|5.660692|6.691119|8.791418|17.584000|0.500000| |1.537739|1.710963|1.717742|2.108498|1.463865|1.471680|1.363726|1.293336|1.314135|1.414215|2.044337|9.789586|1.888014|2.892182|0.061640|1.969159|2.129985|4.186945|2.804292|3.254482|4.240919|4.508393|3.485317|2.866118|2.387422|6.399607|10.408744|0.203747|4.951382|4.393899|4.883911|7.554410|12.432951|0.244667|36.858105| |1.549933|1.719417|1.742146|2.151632|1.487263|1.511449|1.407210|1.338362|1.358944|1.456819|2.097543|10.141118|1.917334|2.989366|0.063445|2.074820|2.299937|4.604603|3.099836|3.790741|5.064375|4.846621|3.597080|3.035450|2.469917|6.120992|9.860294|0.241159|4.716786|4.269683|4.380098|6.253249|8.088864|0.161704|13.569791|73.516695| |17.808934|8.527624|5.797679|7.946715|8.803264|4.176549|3.755457|2.963847|2.655848|2.825228|4.686235|17.232263|4.064850|4.784255|0.105172|3.313359|2.831107|4.273124|2.332002|2.065011|1.953139|2.039340|2.297597|2.493571|2.807092|1.861835|2.232934|0.044332|1.625373|1.447070|1.347120|1.356735|1.500502|0.042411|1.479941|2.640717|0.500000| |8.551593|17.752946|8.791441|7.951331|5.848142|4.134530|3.359353|2.747976|2.629069|2.985283|5.125480|17.111810|6.655817|7.410253|0.176569|4.294514|3.515361|5.376845|3.072579|2.626563|2.516894|2.745324|3.270546|3.538589|4.166268|2.463068|2.856303|0.055782|2.090225|1.802978|1.655204|1.660951|1.876541|0.053514|1.821011|3.221522|0.195942|0.500000| |8.700259|5.828699|5.882977|12.189797|17.840359|7.029416|7.072193|4.802367|3.885498|3.934621|6.606888|23.441095|4.111481|4.752089|0.096225|3.632702|2.982564|4.438281|2.303811|2.011089|1.849725|1.890336|2.129989|2.394872|2.767131|1.697183|2.080205|0.041829|1.535028|1.387183|1.277885|1.274590|1.386748|0.038737|1.359001|2.459074|0.198988|0.123622|0.500000| |4.762065|4.101400|4.736495|9.654462|7.039400|8.834719|17.778973|8.946145|5.674111|5.041623|7.762585|31.566196|3.800795|4.700639|0.091000|4.002987|3.305659|4.865163|2.410642|2.093007|1.876834|1.874239|2.095483|2.416949|2.779041|1.658268|2.058589|0.041920|1.523863|1.390482|1.270498|1.264241|1.362733|0.037635|1.335289|2.449807|0.113239|0.092764|0.239282|0.500000| |3.020720|2.820222|3.266889|5.683055|3.834972|5.669244|8.919635|17.745046|8.902567|5.679589|6.774818|53.132265|2.971381|3.771838|0.071133|3.216922|2.783142|4.353980|2.139887|1.884924|1.689638|1.672688|1.845952|2.114429|2.401506|1.488733|1.890595|0.038762|1.416018|1.315886|1.199537|1.183073|1.254858|0.034474|1.222590|2.252927|0.075123|0.067793|0.118330|0.214888|0.500000| |2.915710|3.101005|3.937831|5.926409|3.420097|5.901405|5.038374|5.677423|8.924117|17.739819|12.672698|53.585973|4.277488|5.032514|0.087167|3.937982|3.130733|5.276167|2.647549|2.234060|2.016395|2.063858|2.379347|2.770785|3.442540|1.814290|2.323162|0.047130|1.811381|1.673512|1.485707|1.426206|1.508050|0.041620|1.423063|2.602172|0.070073|0.076582|0.091030|0.109071|0.124309|0.500000| |4.354196|5.622885|8.844513|9.292897|4.680256|6.560211|4.497942|3.882586|4.202994|5.761676|11.386044|25.660443|17.725085|12.268507|0.181524|6.974628|4.565323|7.331570|3.871398|3.027152|2.739970|2.940565|3.700716|4.549373|7.023999|2.494886|3.029303|0.060226|2.344326|2.050063|1.800418|1.745609|1.915425|0.053443|1.796816|3.254967|0.097777|0.137770|0.108097|0.106800|0.088772|0.152997|0.500000| |4.743974|7.088917|9.071290|7.703028|4.453033|4.644279|3.493871|2.992098|3.085365|3.818895|6.773657|19.931513|17.641968|12.407741|0.225792|5.607394|4.131347|6.717530|3.873965|3.090794|2.919868|3.286520|4.285552|4.924534|7.346786|2.829543|3.321165|0.064593|2.546554|2.166202|1.919774|1.874257|2.102172|0.059641|1.966876|3.499953|0.108159|0.200142|0.100100|0.088922|0.071532|0.102518|0.300252|0.500000| |4.760825|5.512687|7.365655|9.617203|5.281211|6.433997|5.274831|4.215162|3.958741|4.458841|7.690544|24.182434|7.204136|12.423310|0.223953|17.655448|8.939514|10.120105|4.634562|3.583736|3.016942|2.995284|3.542542|4.603686|5.588261|2.465569|2.939442|0.060055|2.153481|1.890515|1.682113|1.686069|1.866352|0.051063|1.820635|3.389659|0.107312|0.129775|0.123394|0.137834|0.099959|0.107659|0.177849|0.146312|0.500000| |3.558304|4.144716|5.564881|7.170267|3.932165|5.670708|4.617016|4.145883|4.344350|5.241486|8.417142|27.129908|6.960180|12.425589|0.181867|17.639984|8.848656|12.650605|5.340110|3.900212|3.207990|3.183454|3.846485|5.289559|7.026077|2.569900|3.135110|0.064463|2.362003|2.084417|1.813682|1.787403|1.954479|0.053090|1.869037|3.501402|0.083066|0.103146|0.096263|0.112088|0.097091|0.134118|0.210595|0.144143|0.300820|0.500000| |3.334403|3.834873|4.221634|5.151575|3.324427|3.496866|3.166787|2.792330|2.699689|2.927381|4.536436|18.242797|4.556767|9.277700|0.207713|8.802473|17.558976|16.488715|7.578331|5.794215|4.405562|4.030217|4.528041|6.103316|5.559246|3.115544|3.592250|0.075020|2.511400|2.162586|1.916727|1.973900|2.233093|0.059853|2.231650|4.282527|0.082211|0.103170|0.081836|0.086636|0.070723|0.075970|0.112469|0.110644|0.212613|0.172972|0.500000| |3.033414|3.329731|3.854525|5.121757|3.224093|3.797816|3.582987|3.267615|3.168148|3.349966|4.979786|21.433686|4.125029|7.560902|0.145007|9.024184|17.640358|16.930211|5.963949|4.724037|3.581057|3.241159|3.581964|4.737712|4.725973|2.588000|3.138397|0.066307|2.252953|2.002228|1.767465|1.793749|1.971184|0.052574|1.951849|3.763847|0.074435|0.086006|0.082006|0.096151|0.082948|0.086062|0.110526|0.096876|0.219647|0.214593|0.301907|0.500000| |2.109790|2.363730|2.532416|3.157685|2.095941|2.262264|2.106739|1.992726|2.013833|2.160027|3.124198|14.664447|2.853397|5.029870|0.103807|3.919794|5.350530|13.159792|8.965144|17.747504|8.880749|5.616021|4.957652|5.641091|4.105867|4.089199|4.999264|0.115005|3.309255|2.881660|2.484017|2.631243|2.956938|0.074354|3.000120|6.342959|0.054206|0.066255|0.053651|0.056839|0.051852|0.059222|0.075914|0.075587|0.093668|0.100872|0.151822|0.134138|0.500000| |1.904050|2.149095|2.226940|2.721633|1.841742|1.911441|1.764170|1.664022|1.687667|1.823213|2.651307|12.384143|2.507923|4.193463|0.089228|2.958058|3.516437|7.561071|5.668567|8.970177|17.699687|8.881541|5.648990|4.941216|3.552442|7.027724|8.375189|0.212010|4.627248|3.806033|3.322836|3.787112|4.623761|0.109095|4.898857|11.552623|0.049738|0.062275|0.047052|0.047764|0.043374|0.050526|0.065947|0.069872|0.072922|0.076398|0.103495|0.087008|0.214868|0.500000| |2.553460|3.135625|3.292477|3.680006|2.402542|2.489477|2.151641|1.979111|2.048034|2.341715|3.571130|14.498696|4.142272|6.806693|0.143966|3.834143|3.784492|7.517292|5.657954|4.953327|5.651456|8.918691|17.694502|8.926194|7.025601|6.974085|6.960702|0.125436|5.339628|3.792062|3.170960|3.128793|3.831823|0.108713|3.349167|5.867839|0.064876|0.095333|0.059045|0.056841|0.049943|0.065727|0.104779|0.129131|0.091710|0.098447|0.106871|0.086902|0.107574|0.124045|0.500000| |2.981826|3.650885|4.523100|5.185539|3.050661|3.788306|3.114749|2.894187|3.137235|3.838279|5.923706|21.331857|6.726241|12.436816|0.182145|7.327991|5.936764|12.071929|6.785709|4.640494|4.010773|4.317397|5.895396|8.853051|17.617066|3.343600|4.057824|0.081874|3.205628|2.720205|2.274311|2.190903|2.420530|0.065982|2.225055|4.124208|0.071797|0.099104|0.074534|0.077920|0.070213|0.109598|0.201376|0.169670|0.147738|0.224404|0.136726|0.132045|0.109550|0.091166|0.152405|0.500000| |3.222487|4.181251|4.888157|5.130964|3.115346|3.466371|2.819702|2.552313|2.694643|3.253862|5.206233|18.328636|7.620595|12.404077|0.213405|5.625896|4.665435|8.696371|5.606602|4.193713|3.999551|4.790143|7.347414|8.931532|17.654905|3.825931|4.416609|0.085340|3.492228|2.834343|2.403796|2.320526|2.638133|0.073975|2.395716|4.302500|0.078027|0.121420|0.074506|0.072161|0.062439|0.091560|0.192236|0.245831|0.127537|0.148441|0.121716|0.104339|0.096530|0.090899|0.227005|0.302436|0.500000| |2.031885|2.371791|2.390557|2.800046|1.902966|1.912206|1.712607|1.595757|1.633317|1.809913|2.688388|11.860124|2.755028|4.293056|0.092806|2.692186|2.801914|5.517212|3.964773|4.171739|5.582100|8.812660|7.191296|4.721631|3.784991|17.630366|12.385554|0.182136|7.253739|4.677503|4.221446|4.536938|6.698515|0.203020|5.451442|8.541148|0.053338|0.072124|0.047867|0.046038|0.041092|0.050693|0.071099|0.083183|0.067456|0.069822|0.081503|0.067809|0.095912|0.141064|0.219708|0.092008|0.111674|0.500000| |1.918746|2.194038|2.200205|2.627835|1.805042|1.802223|1.642065|1.532778|1.552553|1.692841|2.496524|11.327928|2.466242|3.928859|0.086001|2.584613|2.823671|5.583293|4.019578|4.703407|6.982997|8.953557|5.834579|4.288373|3.313550|17.715777|12.366115|0.218436|5.622352|4.142756|3.899131|4.685399|7.285054|0.185350|7.729241|12.989172|0.050744|0.065870|0.045780|0.044579|0.039816|0.046996|0.063645|0.072001|0.065294|0.066364|0.084162|0.069223|0.110612|0.202229|0.149070|0.081807|0.092029|0.302301|0.500000| |1.851537|2.135654|2.262771|2.716414|1.799083|1.931453|1.733867|1.656151|1.739347|1.941271|2.805032|12.876168|2.694738|4.209347|0.084378|2.743685|2.858665|6.074460|4.314621|4.485896|5.548219|7.222357|6.529525|4.945347|4.017800|7.273211|12.393963|0.222247|17.656883|8.797300|5.515391|4.910885|5.568620|0.142801|4.160002|7.468683|0.047873|0.062308|0.045724|0.045767|0.042560|0.055759|0.073456|0.078900|0.066667|0.074941|0.077980|0.070176|0.103934|0.136867|0.176966|0.107360|0.114813|0.186482|0.145663|0.500000| |1.758899|2.020796|2.088989|2.501947|1.685293|1.757376|1.580627|1.503504|1.568670|1.743076|2.529978|11.625029|2.432548|3.648524|0.074755|2.346566|2.392775|4.819214|3.292784|3.394967|4.171317|5.469167|5.041583|3.810811|3.300913|7.075171|12.430025|0.181420|17.596927|8.816184|6.884839|5.821984|6.948500|0.208529|4.587507|7.288788|0.046026|0.059914|0.042901|0.042001|0.038780|0.049883|0.065562|0.072958|0.058577|0.063509|0.066602|0.059331|0.081270|0.108882|0.154503|0.086246|0.098651|0.222273|0.147145|0.301044|0.500000| |1.502362|1.680933|1.766421|2.189136|1.473825|1.580983|1.454958|1.412620|1.480764|1.614909|2.278757|11.245187|2.021741|3.075869|0.061751|2.115272|2.240624|4.678392|3.079176|3.389322|4.002833|4.234741|3.663048|3.167155|2.716770|4.592061|9.284116|0.206897|8.869463|17.524212|8.816784|6.821094|5.645197|0.131197|4.233442|7.883428|0.039333|0.048422|0.038121|0.038659|0.036846|0.046455|0.055857|0.057950|0.052714|0.058541|0.061148|0.057336|0.086269|0.113224|0.097578|0.075239|0.075579|0.114627|0.109622|0.214227|0.173340|0.500000| |1.519990|1.709676|1.798308|2.215944|1.488184|1.599000|1.458734|1.416582|1.496208|1.647941|2.328203|11.358749|2.075594|3.074860|0.061265|2.068556|2.119836|4.337088|2.818446|2.927194|3.354347|3.785047|3.547814|3.047669|2.739778|4.141684|7.570701|0.144311|8.989107|17.576504|8.788135|5.520866|4.828844|0.126883|3.545162|6.118325|0.039749|0.049441|0.038411|0.038554|0.036780|0.047834|0.057748|0.060500|0.051714|0.057679|0.057524|0.053999|0.073490|0.090621|0.100549|0.076139|0.078988|0.113169|0.096908|0.213704|0.214556|0.303742|0.500000| |1.317983|1.457873|1.505020|1.876443|1.283962|1.347972|1.248801|1.212710|1.263847|1.367326|1.927533|9.655021|1.683922|2.483640|0.050468|1.702487|1.771954|3.543139|2.264945|2.440623|2.829362|3.038457|2.711810|2.359511|2.109975|3.534940|6.609806|0.130919|5.527434|8.837456|17.595052|8.870941|5.465183|0.138016|4.085939|6.769810|0.034925|0.042250|0.033414|0.033400|0.031830|0.039220|0.046320|0.048750|0.043412|0.046904|0.049000|0.045844|0.063351|0.081497|0.075603|0.057777|0.059979|0.094741|0.090115|0.123398|0.140336|0.214467|0.209025|0.500000| |1.418708|1.584265|1.623871|1.999208|1.368845|1.420834|1.304207|1.256151|1.307212|1.425517|2.031440|9.885202|1.826337|2.676257|0.054773|1.792738|1.841686|3.645719|2.364250|2.501921|2.950092|3.358884|3.036697|2.549965|2.288878|4.142732|7.693603|0.135127|6.831729|8.853875|17.529017|8.831898|6.657325|0.194435|4.449224|6.780789|0.037614|0.046435|0.035402|0.034876|0.032809|0.040826|0.049815|0.053750|0.045731|0.049016|0.051272|0.047079|0.063461|0.082940|0.087874|0.061589|0.066565|0.118034|0.102909|0.139880|0.202492|0.173351|0.214614|0.303714|0.500000| |1.385882|1.533210|1.572150|1.955190|1.343285|1.393491|1.295929|1.248988|1.286890|1.384494|1.966719|9.746462|1.747394|2.646663|0.054671|1.830013|1.962786|3.953707|2.584226|2.949623|3.615020|3.717938|3.048832|2.610538|2.229704|4.543096|9.257098|0.207395|5.700615|6.814372|8.833561|17.538603|8.885132|0.173710|7.140977|12.565037|0.036798|0.044573|0.034883|0.034919|0.032848|0.039230|0.047361|0.050167|0.046612|0.049570|0.055249|0.050645|0.077094|0.112098|0.081494|0.059949|0.061996|0.111417|0.122854|0.127624|0.133155|0.199381|0.139302|0.216168|0.173395|0.500000| 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