Version2.1 2021-01-06T11:30:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE O=C(Nc3cccc(c1cncc2ccccc12)c3)c4ccccc4NCc5ccncc5 255485 CHEMBL347537 RHF 6-31G(d) (6D,7F) O=C(Nc3cccc(c1cncc2ccccc12)c3)c4ccccc4NCc5ccncc5 C01[X(C28H22N4O1)] 159 C1 539 O=C(c1ccccc1NCc1ccncc1)Nc1cccc(c1)c1cncc2c1cccc2 O=C(c1ccccc1NCc1ccncc1)Nc1cccc(c1)c1cncc2c1cccc2 O=C(Nc1cccc(c1)c2cncc3ccccc23)c4ccccc4NCc5ccncc5 InChIKey=IGMQBINYIPIDJQ-UHFFFAOYSA-N InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33) InChI=1/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)/f/h32H O=C(Nc3cccc(c1cncc2ccccc12)c3)c4ccccc4NCc5ccncc5 C01[X(C28H22N4O1)] 159 C01 539 O=C(c1ccccc1NCc1ccncc1)Nc1cccc(c1)c1cncc2c1cccc2 O=C([C]1[CH][CH][CH][CH][C]1NC[C]1[CH][CH][N][CH][CH]1)N[C]1[CH][CH][CH][C]([CH]1)[C]1[CH][N][CH][C]2[C]1[CH]=[CH][CH]=[CH]2 O=C(N[C]1[CH][CH][CH][C]([CH]1)[C]2[CH][N][CH][C]3C=CC=C[C]23)[C]4[CH][CH][CH][CH][C]4NC[C]5[CH][CH][N][CH][CH]5 InChIKey=IGMQBINYIPIDJQ-UHFFFAOYSA-N InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33) InChI=1/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)/f/h32H 2916.4940376327 -1365.8217617 1-A 20821.1770 113 426 539 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.53945 -15.60759 -15.56936 -15.55708 -15.55670 -11.36757 -11.29804 -11.28926 -11.27464 -11.27049 -11.26557 -11.26408 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7.9269 29.3048 7.5991 66.4183 2.9446 31.6246 10.5848 11.6922 10.4159 1.0378 0.3503 24.1742 1.4893 23.2049 4.3811 10.2165 0.8766 0.6407 10.6809 1.7192 2.5947 6.0295 0.6591 1.6688 1.9245 2.3970 0.0374 0.2025 0.7783 8.0550 1.7492 3.9969 5.1871 85.6445 46.8255 19.3268 48.5707 6.2208 10.1569 15.9806 4.4400 8.8524 10.5139 42.4977 15.0121 0.4556 5.3481 34.0186 17.4023 4.0585 54.7858 332.2165 10.2409 6.0259 101.9616 26.6514 8.1218 3.3645 18.6768 27.5433 72.7351 30.0942 231.3432 74.3248 33.6033 10.2949 5.6879 22.0874 9.1056 8.9301 322.3023 413.4223 37.1232 265.6198 76.3690 44.8031 68.7453 61.2698 23.0932 49.0428 46.7299 304.9231 49.9157 29.7507 29.0394 13.8722 1.5986 19.3490 2.8190 16.2622 29.5294 29.0225 25.7798 30.8572 49.9457 20.6995 11.5493 28.6845 8.2057 9.2478 17.4169 1.0120 116.2578 35.8262 2.0321 7.6434 8.4561 2.1450 3.1695 3.8253 6.3207 4.3390 4.9441 3.8840 4.3405 2.0768 2.7407 0.9901 2.0022 0.8259 3.1890 3.5886 2.1671 1.0727 2.7042 2.4316 3.4736 1.3284 1.5229 0.9850 0.1787 3.2000 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0.7145 0.5313 0.7736 0.7728 0.7877 0.8521 0.6019 0.4183 0.1398 0.5567 0.4675 0.6904 0.6903 0.7869 0.6481 0.8418 0.6052 0.7117 0.8562 0.2886 0.1506 0.5803 0.4231 0.3242 0.2687 0.2176 0.2715 0.3933 0.2099 0.2689 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 8 6 7 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 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 10381.4442 29588.6333 36401.6099 1.00000 0.00008 -0.00123 -0.00009 0.99999 -0.00469 0.00123 0.00469 0.99999 1 0.00834 0.00293 0.00238 0.17384 0.06099 0.04958 9.33 21.37 26.86 38.00 51.77 54.58 92.35 102.73 126.44 139.54 172.72 186.42 257.84 271.52 272.45 296.50 320.71 374.33 388.24 436.56 439.35 449.03 493.70 533.91 595.02 632.44 634.14 643.41 700.24 707.30 738.30 755.23 762.71 804.15 809.03 829.95 842.99 865.00 875.19 930.32 935.83 957.17 995.82 1001.42 1005.48 1038.74 1060.96 1074.00 1101.10 1126.73 1136.61 1176.60 1221.10 1222.15 1239.65 1250.87 1262.32 1277.62 1281.80 1299.94 1312.96 1371.70 1386.65 1392.71 1406.45 1418.55 1436.07 1460.58 1486.71 1501.32 1558.69 1562.10 1563.18 1568.42 1570.41 1576.93 1585.46 1587.71 1593.19 1600.75 1606.31 1625.20 1627.37 1659.23 1662.23 1686.10 1694.76 1703.66 1727.02 1749.85 1766.79 1780.44 1788.45 1808.66 1830.31 1845.38 1857.51 1895.58 1901.25 1907.37 1917.29 1945.90 1960.10 1982.89 1992.09 2006.21 2024.69 2060.96 2097.10 2101.21 2116.49 2129.00 2139.76 2204.68 2217.99 2253.91 2271.56 2289.74 2325.78 2331.26 2342.73 2377.71 2401.57 2413.76 2421.64 2456.44 2483.79 2553.84 2562.28 2569.23 2575.65 2592.10 2596.28 2611.21 2615.27 2645.53 2778.82 4571.19 4645.80 4809.41 4817.71 4832.12 4835.84 4837.51 4845.91 4846.01 4847.71 4849.56 4867.39 4872.78 4873.32 4874.53 4881.82 4893.79 4903.79 4907.43 4968.57 5519.60 5597.44 0.472927 0.497460 0.498405 0.412463 -1365.348834 -1365.324301 -1365.323357 -1365.409299 2.882509D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE O=C(Nc3cccc(c1cncc2ccccc12)c3)c4ccccc4NCc5ccncc5 255485 CHEMBL347537 RHF 6-31G(d) (6D,10F) C1 430.179361 |X|Y|Z| 68.949595 33.693114 122.196047 65.721885 32 6 7 28 4 |73.516695| |28.121162|36.858105| |15.015021|13.971358|53.358707| |11.749366|7.646345|18.387816|36.858105| |8.077866|5.199090|10.842310|13.715141|36.858105| |6.534363|3.918326|7.069448|7.931288|13.775982|36.858105| |6.515015|3.682099|6.189247|6.850307|7.935968|13.780569|36.858105| |8.034218|4.304966|6.967028|7.901417|6.861486|7.935164|13.685818|36.858105| |6.901581|3.528606|5.233520|5.046227|4.460668|5.046256|7.593036|12.745425|36.858105| |6.979105|3.405206|4.776418|4.321695|3.761353|4.050704|5.411444|7.715013|13.982867|36.858105| |5.752142|2.824933|3.871204|3.322537|2.972790|3.184533|4.029704|5.081172|7.916707|14.085704|53.358707| |4.983333|2.514002|3.488837|2.976038|2.723625|2.961451|3.742147|4.510168|6.970951|8.419743|20.114369|36.858105| |4.875500|2.524648|3.600824|3.129933|2.911484|3.241853|4.208059|4.986153|7.860538|7.018603|10.838230|13.416793|36.858105| |4.133601|2.179280|3.105047|2.630887|2.499803|2.769378|3.425749|3.800801|5.102436|4.611476|7.058055|7.689354|13.440582|36.858105| |3.929252|2.115492|3.062457|2.593130|2.511027|2.802724|3.407911|3.632653|4.492744|3.826328|5.403554|5.131891|7.912223|14.031252|36.858105| |4.276072|2.339211|3.474747|3.009996|2.952434|3.359744|4.149132|4.328273|5.080659|3.965342|5.170701|4.541646|6.864481|7.943623|13.458309|36.858105| |5.068557|2.761272|4.182354|3.794178|3.676478|4.287092|5.743857|6.261498|7.547943|5.110773|6.133284|5.124556|7.852111|6.825596|7.881422|14.009087|36.858105| |5.574260|2.924988|4.316384|3.944899|3.662411|4.196751|5.899693|7.421685|13.310875|7.960841|9.234010|7.860521|13.552240|7.783763|6.776877|7.891393|13.399486|36.858105| |11.668395|6.245857|10.533608|13.696005|7.929650|6.878399|7.917389|13.706777|7.641689|6.137630|5.895262|3.780664|3.983035|3.180701|3.056651|3.547894|4.712862|5.277589|36.858105| |14.271844|12.718148|10.754519|5.042010|4.008454|3.141469|2.911058|3.239851|2.771053|2.695116|3.169857|2.114665|2.124030|1.881814|1.843201|2.018141|2.312043|2.399595|4.228399|36.858105| |9.575737|7.615997|9.044366|4.492730|3.800860|2.997486|2.729738|2.952561|2.526878|2.400086|2.854888|1.946081|1.990472|1.793976|1.786604|1.972380|2.232009|2.252307|3.718108|13.698203|36.858105| |7.149420|5.031180|6.146698|3.403637|3.033556|2.494029|2.287411|2.432314|2.137310|2.051327|2.491404|1.713062|1.745689|1.595818|1.593101|1.740225|1.932209|1.940966|2.928843|7.856270|13.792994|36.858105| |6.734570|4.459729|5.196448|2.976672|2.660652|2.232931|2.075521|2.213856|1.980543|1.940362|2.382041|1.628433|1.636280|1.495860|1.479747|1.595611|1.762252|1.794085|2.631797|6.867377|8.027722|13.765109|36.858105| |7.861814|5.025482|5.441095|3.107726|2.717854|2.282291|2.144690|2.319655|2.085657|2.080785|2.549893|1.719652|1.704272|1.542587|1.508473|1.616078|1.796440|1.861169|2.784918|7.913763|6.923274|7.910488|13.791713|36.858105| |11.509460|7.538234|7.119891|3.862619|3.222344|2.646246|2.495469|2.757540|2.444411|2.450445|2.947881|1.958124|1.931494|1.720748|1.670584|1.797455|2.030294|2.131580|3.434793|13.476563|7.859695|6.749139|7.862338|13.616156|36.858105| |12.181929|6.622430|6.329841|3.692287|3.073453|2.585625|2.489730|2.784232|2.514845|2.601256|3.142322|2.050234|1.981049|1.748554|1.673597|1.780462|2.015244|2.161988|3.428258|7.856770|5.168543|4.536246|5.167663|7.860911|13.833891|53.358707| |8.311263|4.420799|4.682089|2.901431|2.509092|2.182092|2.123484|2.344412|2.178223|2.284125|2.835597|1.861846|1.781785|1.590085|1.517105|1.593113|1.776122|1.906124|2.767561|5.069784|3.897378|3.723767|4.469077|6.607684|7.722428|17.957311|36.858105| |7.548656|3.801056|4.189526|2.730763|2.383102|2.121629|2.099636|2.324640|2.203062|2.373333|2.980926|1.931205|1.813480|1.609568|1.517642|1.577259|1.757356|1.915919|2.683853|3.926734|3.112861|2.922301|3.313918|4.359707|5.084819|10.635077|12.588659|36.858105| |7.542704|3.790074|4.317841|2.888005|2.549219|2.282049|2.255196|2.478188|2.332837|2.540866|3.159627|2.019110|1.884152|1.657858|1.556739|1.620245|1.818117|1.998482|2.832780|3.702680|2.942833|2.706107|2.967571|3.747786|4.469713|8.846050|7.516251|13.713574|36.858105| |6.205528|3.102843|3.678455|2.558818|2.300397|2.117718|2.126438|2.324461|2.242399|2.491474|3.167379|2.015621|1.852136|1.632393|1.520016|1.564314|1.743760|1.933083|2.572968|2.962337|2.447003|2.266659|2.443592|2.952660|3.393330|6.082885|5.026394|7.984660|13.777716|36.858105| |5.401984|2.698696|3.212693|2.247396|2.025991|1.887124|1.914475|2.097308|2.065923|2.305168|3.005238|1.930728|1.762457|1.567312|1.454711|1.482099|1.634481|1.811050|2.293320|2.608190|2.200679|2.067396|2.236037|2.666281|2.977309|5.158103|4.425623|6.823859|7.980039|14.407053|53.358707| |5.423693|2.710301|3.168360|2.178773|1.946712|1.800202|1.823667|2.009626|1.981712|2.188022|2.862562|1.859744|1.709098|1.529839|1.425485|1.451943|1.593816|1.754178|2.220484|2.686677|2.270185|2.158183|2.371080|2.859927|3.142794|5.468321|5.030718|7.977944|7.065133|8.450595|19.665343|36.858105| |6.206175|3.110403|3.523044|2.353081|2.074186|1.883749|1.889741|2.092615|2.032125|2.208959|2.844762|1.856124|1.728062|1.546331|1.451465|1.491248|1.643212|1.794785|2.364698|3.184386|2.638084|2.520171|2.836120|3.557713|3.920740|7.167722|7.549289|13.750139|8.036291|7.075312|10.873110|13.746974|36.858105| |10.936599|9.487973|26.095214|9.340908|7.622995|4.917827|4.082848|4.288404|3.299720|3.009923|3.401281|2.286751|2.373959|2.086205|2.081798|2.363847|2.791134|2.813132|5.767466|7.674109|7.447215|5.018839|4.075923|4.092398|5.093587|5.874052|3.265517|2.876645|2.954446|2.518426|3.000979|2.177717|2.423210|0.500000| |7.274682|4.884013|9.990205|8.899187|17.694769|8.924895|5.646536|4.944290|3.562652|3.116282|3.475151|2.360747|2.503372|2.199451|2.223735|2.581768|3.096780|3.044596|5.637345|4.049969|3.978811|3.212802|2.789362|2.802015|3.258484|4.134618|2.489472|2.331136|2.486302|2.226145|2.662939|1.884615|2.018498|0.232341|0.500000| |5.485330|3.301390|5.737059|5.647925|8.947445|17.716673|8.926602|5.642115|4.105007|3.414957|3.809228|2.647457|2.896425|2.545912|2.609501|3.104052|3.789587|3.617262|4.954779|2.771435|2.695062|2.299371|2.069291|2.096092|2.380124|3.157811|1.992106|1.940303|2.088325|1.953652|2.379897|1.664989|1.733200|0.116330|0.216053|0.500000| |5.467363|3.056594|4.925799|4.940974|5.646317|8.920964|17.725372|8.894499|7.017400|5.130597|5.479476|3.869126|4.454935|3.677331|3.684580|4.488356|6.104189|6.137747|5.635692|2.501544|2.367422|2.027997|1.858035|1.914839|2.192430|2.995135|1.915029|1.911544|2.053264|1.967154|2.434646|1.699237|1.742338|0.092503|0.124222|0.215052|0.500000| |7.953523|3.761778|5.166541|4.622835|3.932593|4.083247|5.162058|7.159194|9.008727|17.729386|12.618949|5.941734|5.029529|3.660830|3.153796|3.291763|4.118038|5.638346|6.426967|2.922614|2.536284|2.156079|2.058368|2.242627|2.683878|3.970789|2.542210|2.683283|2.935047|2.881274|3.563346|2.448761|2.464774|0.089310|0.090822|0.095131|0.130656|0.500000| |4.412347|2.235799|3.068612|2.555018|2.360869|2.541491|3.099881|3.593848|4.999076|5.889475|12.822221|17.669664|8.824626|7.059283|4.704145|3.949469|4.158909|5.605820|3.130264|1.919076|1.774389|1.581129|1.513910|1.597684|1.800183|2.571562|1.741395|1.816293|1.889733|1.906477|2.519158|1.787276|1.768691|0.056509|0.057874|0.064257|0.089417|0.129949|0.500000| |3.791598|1.991290|2.798761|2.327611|2.211639|2.418250|2.914705|3.205052|4.161834|4.029229|6.507759|7.063931|8.841176|17.706011|8.987844|5.630901|4.926547|5.581839|2.765100|1.740529|1.657187|1.487816|1.405928|1.453105|1.611117|2.240576|1.513639|1.541888|1.584785|1.573652|2.074944|1.489417|1.495300|0.052497|0.054746|0.062381|0.086341|0.091688|0.214298|0.500000| |3.516721|1.905133|2.742843|2.280768|2.225819|2.458892|2.895255|3.026325|3.584160|3.161513|4.507017|4.148936|5.621100|8.995327|17.722825|8.818970|5.635409|4.902519|2.620818|1.686110|1.646615|1.483746|1.381891|1.402481|1.538437|2.092227|1.404472|1.403375|1.433848|1.403250|1.837565|1.326805|1.349205|0.052332|0.055632|0.064614|0.086579|0.074606|0.111375|0.215606|0.500000| |3.975978|2.211634|3.308419|2.824799|2.825183|3.196273|3.767138|3.776041|4.115306|3.298144|4.272043|3.614892|4.947340|5.663581|8.837769|17.712892|9.026959|5.620060|3.203400|1.937257|1.922620|1.708239|1.558047|1.562597|1.721896|2.298562|1.513893|1.488050|1.522916|1.465144|1.890003|1.364429|1.406090|0.063504|0.069834|0.083858|0.112368|0.078775|0.089968|0.124132|0.213996|0.500000| |5.340610|2.985381|4.686791|4.374774|4.360730|5.204503|6.916856|7.012206|6.875858|4.631282|5.315188|4.158779|5.604467|4.930860|5.620114|9.019913|17.760546|8.810442|5.275487|2.484839|2.426296|2.079539|1.871760|1.893280|2.143664|2.857745|1.830146|1.790980|1.853965|1.759198|2.226228|1.595741|1.657916|0.087422|0.100370|0.125673|0.194230|0.109184|0.095885|0.107135|0.124110|0.217824|0.500000| |14.543791|6.784075|9.585292|8.918476|5.649787|4.962719|5.645581|8.928693|7.095724|6.380159|6.270992|3.946014|4.019771|3.196094|3.009432|3.387750|4.358459|5.056904|17.818968|4.483001|3.816957|3.003288|2.731194|2.936326|3.682819|5.087663|2.997596|2.910177|3.014931|2.724532|3.334978|2.401325|2.577695|0.144327|0.124107|0.107689|0.124131|0.188479|0.091112|0.078103|0.071930|0.084335|0.128403|0.500000| |8.981361|7.098288|9.998813|5.002075|4.259488|3.304758|2.970781|3.189384|2.680393|2.481872|2.930083|2.016344|2.097064|1.894303|1.907756|2.137746|2.431338|2.408309|4.030207|8.939749|17.716690|8.980400|5.692645|4.978534|5.613223|5.697407|3.263304|2.728912|2.632610|2.241833|2.757953|2.070569|2.356354|0.240431|0.124267|0.082089|0.070963|0.071777|0.050766|0.048210|0.048729|0.058281|0.074657|0.112182|0.500000| |6.003908|4.106006|5.325462|3.083258|2.828203|2.361961|2.160350|2.266271|2.000836|1.903626|2.327263|1.617487|1.661945|1.534826|1.545756|1.692436|1.861419|1.844754|2.671809|5.609847|8.908037|17.737847|8.877449|5.628538|4.889137|4.916992|3.090368|2.512008|2.349788|2.010906|2.520504|1.926940|2.213788|0.122098|0.083885|0.061249|0.053655|0.054957|0.041606|0.039768|0.040214|0.046570|0.055817|0.075238|0.216104|0.500000| |5.565789|3.562605|4.293348|2.557374|2.334423|1.997321|1.863419|1.969742|1.782352|1.749878|2.171371|1.494010|1.500910|1.383667|1.371804|1.471747|1.609462|1.632143|2.293121|4.948607|5.680445|8.920203|17.709654|8.980302|5.624895|5.707968|3.908720|2.985879|2.670345|2.241363|2.830148|2.214739|2.624873|0.093373|0.068107|0.052006|0.046844|0.051279|0.038837|0.036297|0.035797|0.040083|0.047288|0.065803|0.124746|0.213656|0.500000| |6.745007|4.082103|4.540371|2.706693|2.403425|2.060428|1.953344|2.104552|1.921690|1.939623|2.406076|1.622934|1.595997|1.450312|1.412805|1.500506|1.656111|1.723329|2.476651|5.624992|4.982815|5.657566|8.997920|17.772270|8.877899|9.720501|7.477318|4.721487|3.889728|3.061474|3.812909|3.063914|3.898354|0.093862|0.068541|0.052988|0.048962|0.058145|0.042195|0.038197|0.036627|0.040269|0.048094|0.072590|0.108041|0.124378|0.218961|0.500000| |16.746467|7.648693|6.902902|4.104968|3.293687|2.778520|2.726194|3.133513|2.842452|2.982829|3.562949|2.289417|2.192882|1.909981|1.812113|1.926002|2.201756|2.399759|3.943121|7.430917|4.847667|4.059117|4.327814|5.866493|9.530584|26.009271|9.183476|7.425441|6.617163|4.689179|5.390508|4.133106|5.238017|0.123531|0.087883|0.068166|0.066434|0.094472|0.058168|0.049801|0.045908|0.050288|0.063412|0.123591|0.114271|0.092051|0.099299|0.147202|0.500000| |6.996951|3.914171|4.334595|2.691858|2.388713|2.079422|1.997362|2.163176|1.997222|2.074303|2.580591|1.708177|1.645389|1.478961|1.419745|1.493552|1.657013|1.761475|2.519901|4.626812|3.738451|3.723511|4.643853|6.864662|6.914886|12.517462|17.551411|8.993257|6.552396|4.582907|5.472836|4.438789|6.139525|0.086524|0.067016|0.053361|0.050276|0.063684|0.044504|0.039140|0.036661|0.039657|0.047620|0.074129|0.086696|0.086446|0.116063|0.241212|0.181516|0.500000| |7.535626|3.996299|4.269636|2.664816|2.305765|2.023480|1.984817|2.199107|2.070509|2.165397|2.721943|1.804727|1.729854|1.555449|1.486082|1.553743|1.718530|1.836742|2.578726|4.653722|3.743339|3.682871|4.496163|6.475339|6.803405|12.281358|17.493396|8.915403|5.589537|4.214789|5.428945|4.784317|7.320775|0.082804|0.063334|0.051423|0.049997|0.065980|0.047170|0.041281|0.038365|0.041097|0.048988|0.078396|0.087389|0.085729|0.111740|0.213501|0.201561|0.302867|0.500000| 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