Version2.1 2020-12-01T02:03:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccnc3Oc4ccccc4 C39623462 RHF 6-31G(d) (6D,7F) CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccnc3Oc4ccccc4 C01[X(C26H35N4O3)] 198 C1 565 CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccccc1 CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccccc1 CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccnc3Oc4ccccc4 InChIKey=FVKNXJUVLDEPME-QFIPXVFZSA-O InChI=1S/C26H34N4O3/c1-2-3-7-14-28-23(31)22-18-30(19-26(22)12-16-27-17-13-26)25(32)21-11-8-15-29-24(21)33-20-9-5-4-6-10-20/h4-6,8-11,15,22,27H,2-3,7,12-14,16-19H2,1H3,(H,28,31)/p+1/t22-/m0/s1 InChI=1/C26H34N4O3/c1-2-3-7-14-28-23(31)22-18-30(19-26(22)12-16-27-17-13-26)25(32)21-11-8-15-29-24(21)33-20-9-5-4-6-10-20/h4-6,8-11,15,22,27H,2-3,7,12-14,16-19H2,1H3,(H,28,31)/p+1/t22-/m0/s1/fC26H35N4O3/h27-28H/q+1 CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccnc3Oc4ccccc4 C01[X(C26H35N4O3)] 198 C01 565 CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccccc1 CCCCC[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][N][C]1O[C]1[CH][CH][CH][CH][CH]1 CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)[C]3[CH][CH][CH][N][C]3O[C]4[CH][CH][CH][CH][CH]4 InChIKey=DTAOPOFCHHMLLZ-QFIPXVFZSA-N InChI=1S/C26H35N4O3/c1-2-3-7-14-28-23(31)22-18-30(19-26(22)12-16-27-17-13-26)25(32)21-11-8-15-29-24(21)33-20-9-5-4-6-10-20/h4-6,8-11,15,22H,2-3,7,12-14,16-19,27H2,1H3,(H,28,31)/t22-/m0/s1 InChI=1/C26H35N4O3/c1-2-3-7-14-28-23(31)22-18-30(19-26(22)12-16-27-17-13-26)25(32)21-11-8-15-29-24(21)33-20-9-5-4-6-10-20/h4-6,8-11,15,22H,2-3,7,12-14,16-19,27H2,1H3,(H,28,31)/t22-/m0/s1/f/h28H 3449.9885500842 -1447.1870495 1-A 20916.5451 121 444 565 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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|A|A|A| 7.0350 13.1420 22.0729 30.0399 36.7187 44.5604 46.6331 54.8646 60.9979 70.2701 75.6063 93.5004 107.5489 113.6308 124.9370 136.3030 156.7821 163.2516 192.6907 198.4322 206.9413 226.1727 235.9410 262.7945 266.6398 275.8427 282.9893 293.6484 313.8858 348.2806 369.7479 384.2428 396.3352 414.9282 427.0708 441.2222 446.5789 464.7628 479.5293 493.5635 500.2046 519.9415 541.6632 548.8378 557.2381 591.3847 633.2995 645.8747 672.7034 676.9407 700.2223 724.0842 745.0477 776.3362 788.7992 800.4513 826.9729 829.1455 841.0026 860.5956 868.0233 875.1560 876.3374 883.0956 904.6336 921.7905 931.0644 942.1228 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5.6817 3.3295 9.3866 98.9597 74.4427 8.5664 35.4755 20.3692 4.0659 14.8166 413.0439 6.9379 19.2326 5.4150 60.4749 491.0136 6.0880 54.8752 1.8534 3.5063 4.2049 6.4262 4.9314 5.1100 7.4973 3.2296 22.1895 115.1282 14.0695 3.1191 3.5419 584.4404 158.2502 12.1157 27.2795 162.8680 112.5311 299.6482 406.8384 2.5946 24.8583 3.0962 25.5651 81.5333 36.2368 1.0910 0.0942 26.5656 50.7552 10.9875 25.1885 87.2255 2.3562 48.9497 9.2100 43.6939 24.0750 4.4221 3.2468 1.8639 7.5715 10.0894 7.4662 2.5365 4.7669 8.6908 21.5101 15.6535 5.8768 2.7247 9.3104 63.6574 78.0505 40.6233 0.3696 0.5911 2.8380 0.2425 3.6149 1.3134 3.8529 1.9171 0.6885 2.3366 1.7709 1.5050 0.5583 0.5273 1.3264 3.1007 0.4419 1.9311 0.3955 1.9577 1.7272 0.4574 0.1699 0.0125 3.1177 1.2416 2.7930 0.8602 1.4810 1.2489 2.9508 0.9328 0.6658 0.8783 0.7030 0.6196 0.8237 0.1365 0.9998 1.0742 0.3696 1.5327 0.3098 1.5874 1.9882 1.1994 5.9490 1.9974 5.9363 4.0462 1.6899 3.3644 1.2686 1.5323 0.0371 5.3321 0.3078 0.8097 11.7777 3.3234 1.9847 2.2296 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285.50 297.74 325.41 339.47 378.10 383.64 396.88 407.16 422.49 451.61 501.10 531.98 552.84 570.24 596.99 614.46 634.82 642.53 668.69 689.94 710.13 719.68 748.08 779.33 789.66 801.74 850.87 911.18 929.27 967.87 973.97 1007.46 1041.80 1071.96 1116.97 1134.91 1151.67 1189.83 1192.96 1210.02 1238.21 1248.89 1259.15 1260.85 1270.58 1301.57 1326.25 1339.59 1355.50 1362.59 1372.02 1394.34 1405.32 1411.45 1486.57 1498.03 1509.58 1534.43 1544.66 1560.99 1571.97 1580.13 1586.48 1598.48 1599.80 1601.50 1618.22 1619.92 1625.54 1628.03 1631.11 1637.10 1649.78 1679.27 1689.33 1691.23 1697.22 1727.84 1751.64 1771.69 1791.99 1795.31 1817.21 1838.67 1850.94 1864.21 1893.83 1902.00 1911.46 1920.77 1922.44 1944.03 1951.15 1964.59 1975.72 2014.79 2017.93 2039.56 2044.91 2055.94 2083.70 2089.33 2093.01 2093.39 2101.50 2107.44 2108.34 2135.74 2163.29 2169.73 2196.27 2218.02 2229.52 2234.45 2243.98 2250.66 2258.49 2259.08 2266.30 2274.36 2300.33 2331.46 2348.13 2352.22 2356.48 2358.55 2365.33 2368.46 2368.81 2371.27 2383.14 2388.84 2400.16 2404.86 2410.02 2425.98 2469.33 2566.40 2580.95 2592.57 2611.24 2626.37 2735.36 2771.84 4582.51 4584.32 4586.53 4596.54 4598.89 4608.11 4613.62 4628.43 4656.16 4662.89 4666.74 4667.17 4697.63 4703.09 4708.20 4710.08 4728.61 4731.51 4734.75 4749.30 4777.29 4794.62 4821.00 4833.24 4846.70 4860.24 4873.88 4876.14 4886.81 4891.05 4893.91 4915.49 5265.32 5367.78 5585.33 0.634225 0.663877 0.664821 0.567905 -1446.552825 -1446.523173 -1446.522229 -1446.619144 3.250545D-04 MUNgauss RevisionA2.0 retrievium 01-Dec-2020 DUDE CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccnc3Oc4ccccc4 C39623462 RHF 6-31G(d) (6D,10F) C1 451.270916 |X|Y|Z| 44.178530 59.232408 124.323239 68.776645 24 6 7 8 20 3 1 |36.858105| |12.468258|36.858105| |7.479743|12.452028|36.858105| |4.866287|7.469652|12.452920|36.858105| |3.747718|4.876598|7.511146|12.497652|36.858105| |3.010292|3.809322|4.989016|7.773674|13.043930|53.358707| |2.534528|3.044182|3.830404|5.117929|7.771098|19.407487|36.858105| |2.450369|2.853710|3.627467|4.471708|6.853350|11.604082|15.742016|73.516695| |2.176529|2.576663|3.048979|3.926254|4.993680|10.671805|12.472805|14.157236|36.858105| |2.131527|2.516179|2.943503|3.751723|4.622317|9.315094|9.083766|11.580469|17.493896|0.500000| |2.140861|2.557383|2.918996|3.783373|4.356806|8.799313|7.317242|9.318071|12.382978|0.247275|36.858105| |1.840761|2.140589|2.389444|2.935817|3.307269|5.987378|5.115421|7.446726|8.111119|0.188816|13.079175|53.358707| |1.726826|1.977046|2.227178|2.674330|3.099554|5.458748|5.013919|7.812848|8.067499|0.199930|7.898214|17.878066|36.858105| |1.888259|2.169162|2.520804|3.054653|3.769454|6.830960|7.297191|11.739109|12.307315|0.248178|7.831281|11.101865|12.358151|36.858105| |1.790228|2.021367|2.352089|2.760786|3.418913|5.760925|5.911634|11.012238|7.477577|0.201326|5.012002|6.978479|7.402877|12.379326|36.858105| |1.595684|1.768956|2.026687|2.306473|2.770637|4.410941|4.181223|8.075384|4.857641|0.128681|3.820528|5.651721|5.834983|7.424150|12.509593|36.858105| |1.610791|1.776594|2.043302|2.302578|2.777087|4.324425|4.071803|8.203366|4.418410|0.109606|3.628432|5.266085|4.970259|6.484939|7.731843|12.675988|53.358707| |1.495523|1.632719|1.857893|2.061185|2.437143|3.708242|3.354797|6.669748|3.590278|0.091265|3.077739|4.511532|4.128901|4.897129|5.691826|9.160937|25.698703|0.500000| |1.701203|1.872084|2.181994|2.443237|3.008441|4.589865|4.369369|9.435805|4.397679|0.108557|3.514387|4.838251|4.337718|5.945998|7.189598|9.213678|25.646798|0.327239|0.500000| |1.653308|1.840645|2.106519|2.408661|2.875181|4.586437|4.292084|8.159699|4.853442|0.113106|4.266282|6.436095|5.891513|7.411379|6.478553|7.643246|17.208531|0.254291|0.255427|36.858105| |1.873737|2.131785|2.480824|2.943429|3.622519|6.172376|6.235224|11.210099|7.454602|0.152772|6.204755|8.701590|7.528236|12.304047|7.491927|6.472664|10.503353|0.157997|0.199137|12.521829|36.858105| |1.728426|1.997189|2.171555|2.618959|2.820091|4.844977|3.853688|5.808291|5.236161|0.132107|7.879254|19.083841|7.524306|5.202846|3.803502|3.316102|4.294674|0.078137|0.080703|3.812403|4.638496|36.858105| |1.807799|2.107379|2.256071|2.737474|2.847810|4.834298|3.628515|5.409946|4.608276|0.117855|7.143000|11.673737|5.307054|4.218172|3.217704|2.804764|3.687074|0.067752|0.070950|3.204817|3.887560|15.867225|73.516695| |1.521409|1.725430|1.857649|2.174962|2.331172|3.838724|3.072986|4.862475|3.964046|0.103797|4.998491|10.456617|6.289286|4.299143|3.409153|3.176003|4.098854|0.076790|0.075328|3.597211|3.964110|12.672061|14.457252|36.858105| |1.432990|1.616559|1.715128|1.986638|2.087497|3.369654|2.628950|4.184556|3.277731|0.089493|3.987378|7.276640|4.653337|3.418441|2.879512|2.700035|3.437801|0.065458|0.064009|2.883104|3.112014|7.710144|11.687570|13.764276|36.858105| |1.298534|1.447193|1.527434|1.738746|1.823060|2.876811|2.245442|3.658834|2.711436|0.074326|3.132272|5.424605|3.750314|2.889314|2.535847|2.464926|3.159500|0.061445|0.058636|2.608124|2.697812|5.071072|8.024653|7.931561|13.741462|36.858105| |1.250689|1.385194|1.469485|1.660520|1.757937|2.753354|2.178192|3.611376|2.602642|0.070183|2.934087|5.093509|3.677462|2.875575|2.544117|2.557820|3.336809|0.065837|0.061156|2.784675|2.774093|4.516900|6.950737|7.008416|8.065613|13.833769|36.858105| |1.303947|1.446765|1.549588|1.757468|1.885232|2.972020|2.391716|3.987705|2.880272|0.075802|3.242711|5.812234|4.271781|3.300498|2.855077|2.915922|3.883795|0.076524|0.070055|3.363045|3.283666|5.039981|7.371071|7.989453|6.935167|8.006760|14.361384|53.358707| |1.430988|1.604393|1.732989|1.996704|2.161246|3.485759|2.837668|4.647028|3.537755|0.091008|4.146801|8.094611|5.672616|4.102665|3.341164|3.303863|4.400775|0.084168|0.079117|3.974208|4.062396|7.383706|9.713204|13.629474|8.059143|7.045699|8.434057|19.926141|36.858105| |1.490607|1.670912|1.827259|2.106715|2.322889|3.753202|3.131059|5.209694|3.868565|0.095309|4.422608|8.455731|6.175291|4.748188|3.729127|3.764393|5.295559|0.100327|0.093631|5.220612|5.180047|6.595555|8.836176|8.120479|5.307700|4.695031|5.447111|11.336864|14.071048|73.516695| |1.399903|1.550234|1.689994|1.911657|2.101733|3.295544|2.727646|4.687358|3.185799|0.079099|3.472025|5.949446|4.492649|3.873192|3.245716|3.451348|5.125290|0.101605|0.090743|5.028615|4.492880|4.502074|6.660624|5.255726|4.018605|3.861268|4.701588|9.488523|7.962377|24.486441|36.858105| |1.298411|1.424778|1.551858|1.734656|1.911304|2.955218|2.454943|4.306044|2.828603|0.071959|2.945072|4.916024|3.957467|3.485918|3.121088|3.510368|5.192756|0.108155|0.090136|4.750181|3.922898|3.617534|5.430632|4.254952|3.496076|3.531491|4.424887|8.503291|6.065127|14.052043|13.764031|36.858105| |1.228729|1.335734|1.449449|1.597722|1.751282|2.652193|2.177861|3.880317|2.424102|0.061949|2.491496|3.964630|3.131226|2.905394|2.678633|3.036033|4.622978|0.099657|0.082438|4.050490|3.319092|2.908927|4.541416|3.287415|2.825704|2.890498|3.526054|6.154785|4.292143|9.250555|7.983892|13.756413|36.858105| |1.241589|1.346102|1.456149|1.596333|1.738345|2.605169|2.112472|3.768000|2.301701|0.058282|2.393876|3.708658|2.820801|2.683714|2.439278|2.688627|4.174320|0.088718|0.076844|3.706841|3.145104|2.743342|4.397166|3.004158|2.592862|2.616588|3.101276|5.250516|3.779141|8.181369|6.903051|7.916941|13.731771|36.858105| |1.329880|1.450999|1.569156|1.732050|1.879124|2.831770|2.280949|4.018845|2.485242|0.061963|2.655569|4.103178|3.001426|2.852753|2.500534|2.664970|4.142556|0.085048|0.077272|3.837853|3.420390|3.079100|4.984427|3.306502|2.790029|2.746403|3.196485|5.467551|4.137867|9.322630|7.978094|6.861446|7.945605|13.758027|36.858105| |1.420317|1.568218|1.702539|1.911878|2.082313|3.212034|2.606824|4.499266|2.928478|0.072001|3.230421|5.192663|3.705484|3.396766|2.848231|2.967103|4.535366|0.090084|0.083475|4.416373|4.095436|3.966842|6.250412|4.301003|3.431459|3.279109|3.821276|6.922629|5.657927|14.341225|13.799614|7.907729|6.871707|7.925281|13.732655|36.858105| |17.541254|8.774150|6.775487|4.497184|3.634259|3.959421|2.480880|4.314440|2.125922|0.058431|2.055653|2.418464|1.687098|1.852357|1.782459|1.589587|2.172047|0.041212|0.046964|1.618753|1.823931|1.659172|3.058678|1.468168|1.385538|1.259255|1.213965|1.720716|1.383527|2.559435|1.353133|1.263136|1.195961|1.203083|1.280540|1.364668|0.500000| |17.561599|8.785001|5.460276|4.042260|3.173721|3.620764|2.268101|3.875565|1.992514|0.054427|1.986265|2.349676|1.614311|1.741383|1.649171|1.479310|2.027668|0.038594|0.043409|1.532851|1.725329|1.639981|3.066947|1.452206|1.378149|1.253219|1.204276|1.700243|1.364413|2.510811|1.328341|1.233103|1.168872|1.182330|1.265896|1.349415|0.301831|0.500000| |17.540959|8.774215|6.775162|4.497638|3.633914|3.959844|2.487638|4.339825|2.125468|0.057139|2.088072|2.456888|1.697910|1.866137|1.767462|1.588074|2.206793|0.041920|0.047756|1.668079|1.881436|1.694033|3.137878|1.496362|1.402392|1.274723|1.235258|1.760908|1.418525|2.644917|1.407088|1.305049|1.241235|1.260827|1.352457|1.437038|0.301604|0.301833|0.500000| |8.860413|17.515722|8.858880|6.872870|4.546326|5.066290|2.980842|4.909190|2.564076|0.068662|2.617369|2.981004|1.991995|2.163664|1.983170|1.742924|2.397835|0.045010|0.051268|1.850870|2.149577|2.067189|3.927533|1.778480|1.664644|1.486882|1.421879|2.022448|1.650958|3.056675|1.595223|1.455370|1.364591|1.382886|1.501730|1.626521|0.172945|0.212954|0.210714|0.500000| |8.860960|17.515246|8.858958|6.870725|4.546754|5.065182|2.969214|4.872646|2.564788|0.070920|2.554732|2.913538|1.974681|2.142369|2.004213|1.744871|2.353723|0.044144|0.050298|1.784597|2.065531|2.005182|3.776453|1.731990|1.636838|1.462651|1.389885|1.962608|1.596849|2.927675|1.518367|1.398291|1.305501|1.308226|1.405670|1.524399|0.210722|0.212971|0.172950|0.303875|0.500000| |6.879547|8.857705|17.508653|8.855708|6.909987|6.314924|3.699473|6.398429|2.940833|0.080446|2.733504|3.086688|2.156852|2.455673|2.351975|2.027022|2.757339|0.051272|0.060421|2.049124|2.385972|2.048559|3.737164|1.770376|1.641196|1.469160|1.415389|2.027196|1.657220|3.099628|1.616232|1.498600|1.401666|1.400083|1.495301|1.615482|0.204048|0.140580|0.169170|0.173748|0.211831|0.500000| |6.880472|8.857791|17.508089|8.857810|6.907309|6.316113|3.721651|6.481432|2.939468|0.077185|2.810387|3.167022|2.179317|2.487724|2.318007|2.023873|2.828941|0.052644|0.062123|2.151247|2.518174|2.114672|3.883124|1.820013|1.669126|1.493642|1.449155|2.093262|1.717867|3.253863|1.709858|1.569491|1.475566|1.492781|1.612562|1.738576|0.169213|0.140588|0.204069|0.211798|0.173748|0.303680|0.500000| |4.532382|6.852111|8.844287|17.511726|8.882711|9.690952|4.841525|7.371556|3.887095|0.100351|3.990709|4.179244|2.714118|3.042840|2.668405|2.251670|3.093345|0.056622|0.066331|2.434375|2.994702|2.785036|5.287782|2.285577|2.078880|1.809584|1.725638|2.490851|2.090046|3.925700|1.999560|1.792046|1.648968|1.659912|1.821707|2.022132|0.111198|0.108574|0.119607|0.206893|0.170858|0.173578|0.211749|0.500000| |4.536807|6.863716|8.854731|17.499260|8.874224|9.670334|4.787068|7.242469|3.886488|0.107774|3.775608|3.996567|2.669224|2.982284|2.718807|2.254666|2.998411|0.054892|0.064227|2.287509|2.776726|2.637225|4.932741|2.188294|2.024749|1.765837|1.668714|2.380465|1.982364|3.660794|1.852959|1.687649|1.546846|1.534286|1.656458|1.834073|0.119689|0.108678|0.111288|0.171171|0.207260|0.211861|0.173684|0.302681|0.500000| |3.648654|4.525987|6.847395|8.820592|17.573762|12.427537|6.873214|11.929429|4.579851|0.124080|3.816838|4.103443|2.927767|3.576094|3.432151|2.780211|3.731427|0.067111|0.083313|2.741901|3.356458|2.571727|4.553166|2.170205|1.962122|1.729471|1.670496|2.427100|2.023743|3.844751|1.968646|1.817898|1.671740|1.647788|1.758743|1.932205|0.102700|0.085506|0.097244|0.111879|0.120348|0.206769|0.170871|0.173541|0.211437|0.500000| |3.644681|4.521836|6.835963|8.825598|17.601038|12.490311|7.041821|12.525891|4.584919|0.113223|4.043604|4.305215|2.989124|3.683629|3.333333|2.774870|3.918810|0.070337|0.088038|3.006043|3.764618|2.710203|4.831761|2.266333|2.012486|1.771431|1.728362|2.545430|2.139672|4.156646|2.147700|1.950699|1.802994|1.806489|1.960545|2.156273|0.097137|0.085435|0.102566|0.120270|0.111817|0.170579|0.206205|0.211935|0.173528|0.303353|0.500000| |2.970762|3.829820|4.721340|7.547734|8.997972|26.067619|9.427184|10.878161|7.484001|0.192129|7.281895|6.388506|4.047758|4.700643|3.878682|3.005616|3.949498|0.069898|0.083466|3.119407|4.135884|3.878666|7.112714|2.991611|2.650706|2.229914|2.100313|3.054464|2.644052|4.955599|2.411537|2.146040|1.914017|1.878021|2.050129|2.345067|0.078929|0.074161|0.078508|0.106050|0.107082|0.119565|0.118114|0.207445|0.215292|0.190412|0.185251|0.500000| |2.245796|2.697938|3.086205|4.019711|4.573237|8.937749|6.938887|9.160162|8.683586|0.174914|17.580180|12.374440|6.045732|6.391740|4.300568|3.458029|4.725007|0.082602|0.094890|4.214375|6.176191|6.864846|12.155553|4.550312|3.634716|2.919366|2.781206|4.226428|3.939939|7.742874|3.521402|2.922078|2.510384|2.470689|2.805154|3.424107|0.059139|0.057745|0.061452|0.078108|0.073544|0.078428|0.084029|0.123200|0.107190|0.106655|0.122500|0.200430|0.500000| |2.208850|2.672913|2.992692|3.938497|4.283290|8.471923|6.138256|7.941494|8.672989|0.224555|17.608507|12.348576|6.063687|5.710749|4.193313|3.268583|4.157967|0.073659|0.082807|3.448860|4.605201|7.156654|13.259896|4.645171|3.967176|3.087927|2.804603|4.074452|3.716587|6.674006|3.009403|2.597560|2.226290|2.144495|2.362140|2.823262|0.058808|0.057293|0.059036|0.076127|0.075642|0.077636|0.078151|0.115789|0.114039|0.104690|0.106166|0.220038|0.303284|0.500000| |1.595032|1.803710|2.013105|2.365042|2.704222|4.561191|4.075130|6.688989|5.713705|0.143086|5.785414|12.373893|17.696436|8.642387|6.275019|5.918985|7.141433|0.124975|0.120858|6.555284|7.076825|6.825164|8.541884|6.834108|4.854555|4.070195|4.215682|7.090214|7.116567|14.681708|5.678976|5.031016|3.751700|3.262266|3.426753|4.318581|0.043271|0.041600|0.043820|0.050652|0.049816|0.054173|0.055251|0.067005|0.065066|0.071246|0.073850|0.093063|0.137581|0.129980|0.500000| |1.676051|1.913230|2.140110|2.554152|2.923935|5.075208|4.520802|7.077273|6.964123|0.206230|6.487222|12.310741|17.500341|8.775405|7.102416|5.530035|5.930415|0.103456|0.107228|4.676289|5.498504|6.361814|8.472724|5.691697|4.638569|3.773454|3.591410|5.395317|4.944997|8.731069|3.763765|3.471912|2.803827|2.509207|2.617211|3.134999|0.045782|0.043664|0.045453|0.053144|0.053666|0.058192|0.057524|0.070999|0.072225|0.078362|0.076853|0.106016|0.136646|0.156866|0.301832|0.500000| |1.740095|1.964086|2.258858|2.647376|3.197456|5.361648|5.158730|9.058514|6.699201|0.211960|4.719059|6.662445|7.016849|8.783248|17.560952|8.987718|7.646144|0.127073|0.145221|4.886209|5.475154|3.727662|5.629731|3.385057|2.942566|2.591024|2.555137|3.810637|3.232266|6.117655|2.965586|2.879889|2.470232|2.236393|2.278812|2.587721|0.048343|0.044751|0.047314|0.053305|0.054778|0.063199|0.060962|0.070611|0.074115|0.090460|0.084336|0.103589|0.108935|0.115729|0.161496|0.223053|0.500000| |1.913129|2.158167|2.562071|2.994082|3.851163|6.337696|6.752306|14.332823|7.069237|0.190043|4.586447|5.886987|5.486098|8.863207|17.605194|8.926652|9.456428|0.145592|0.210903|5.617859|6.621087|3.312890|5.175036|2.934876|2.525713|2.239709|2.238174|3.380823|2.865486|5.671293|2.852036|2.737759|2.417437|2.247127|2.311515|2.586336|0.053249|0.048509|0.052555|0.058187|0.059124|0.072040|0.070358|0.078729|0.081052|0.110487|0.104819|0.113174|0.113373|0.109010|0.131572|0.146287|0.303631|0.500000| |1.496674|1.656862|1.871029|2.126296|2.491656|3.972250|3.635088|6.699163|4.388832|0.117782|3.693399|5.815197|6.247688|6.599018|8.706059|17.617118|12.453150|0.222054|0.181138|7.089332|5.755572|3.497958|5.148566|3.501890|2.966433|2.740523|2.889484|4.534129|3.739302|7.499068|3.840717|4.034429|3.377409|2.887210|2.817406|3.163950|0.041284|0.038812|0.041307|0.045619|0.045587|0.051699|0.051742|0.058263|0.058168|0.068767|0.068937|0.077099|0.092237|0.088559|0.194449|0.168020|0.212747|0.173073|0.500000| |1.541967|1.693052|1.935755|2.167601|2.588827|4.000228|3.682033|7.261982|4.049977|0.111423|3.227731|4.642371|4.489225|5.436846|8.780780|17.624959|12.351713|0.224218|0.221472|5.591971|4.859952|2.818807|4.342940|2.724131|2.385545|2.211690|2.287041|3.475966|2.816268|5.554089|2.932464|3.037283|2.711673|2.417530|2.366145|2.571734|0.042981|0.039721|0.042614|0.046008|0.046467|0.054399|0.053664|0.058159|0.059068|0.073647|0.071910|0.075550|0.081951|0.079172|0.125030|0.124272|0.211927|0.217030|0.301082|0.500000| |1.542125|1.712981|1.930697|2.201931|2.562934|4.090941|3.700000|6.738530|4.375457|0.105510|4.070984|6.634617|6.287052|6.564633|5.737275|7.066575|12.430858|0.222215|0.180977|17.656530|8.702307|4.068481|5.908988|4.065929|3.202081|2.931864|3.215509|5.474782|4.762156|11.656757|6.389838|6.263578|4.927685|4.231833|4.274810|5.059568|0.041911|0.040011|0.043055|0.048013|0.046452|0.052134|0.054368|0.062147|0.058830|0.067978|0.073254|0.079403|0.109576|0.092888|0.223504|0.138317|0.129407|0.131543|0.217017|0.145062|0.500000| |1.632987|1.803221|2.057823|2.316427|2.738418|4.228750|3.814747|7.376420|4.048482|0.095219|3.697018|5.393183|4.531332|5.431729|4.868782|5.596362|12.347543|0.224235|0.221567|17.630141|8.797248|3.356591|5.182647|3.191315|2.603086|2.389375|2.570656|4.209993|3.564138|8.317498|4.887646|4.626919|4.212840|4.043081|4.213799|4.628547|0.044282|0.042069|0.046159|0.050579|0.048155|0.055376|0.059156|0.065465|0.060402|0.072179|0.081307|0.079618|0.105779|0.084897|0.137918|0.103613|0.107576|0.126259|0.145340|0.126471|0.302033|0.500000| |2.026647|2.308307|2.748229|3.255750|4.177448|6.950070|7.274668|14.743215|7.024485|0.144402|5.558065|6.932861|5.534813|8.795988|6.589654|5.594090|9.420969|0.145359|0.209541|8.952766|17.626830|3.887815|6.116450|3.308107|2.695635|2.361377|2.407922|3.789722|3.337493|7.257318|3.706506|3.301048|2.918787|2.839846|3.088065|3.554113|0.054815|0.051305|0.056928|0.064350|0.061364|0.073381|0.078655|0.091224|0.083183|0.106752|0.125554|0.122323|0.162084|0.119179|0.141323|0.123257|0.135918|0.188232|0.131520|0.125572|0.173396|0.218706|0.500000| |1.871399|2.139190|2.454308|2.926949|3.479464|5.930214|5.509402|9.209999|6.661772|0.137360|6.808455|9.965695|7.244858|8.765744|5.486830|4.899509|7.653766|0.127311|0.144946|9.034922|17.597102|5.464982|8.097692|4.517482|3.416771|2.915387|3.002577|4.926047|4.649799|11.126510|5.227866|4.212898|3.510060|3.404176|3.880408|4.910336|0.050093|0.048139|0.052270|0.060815|0.057481|0.064502|0.069322|0.085098|0.076545|0.087221|0.100590|0.114620|0.206514|0.136752|0.196080|0.143263|0.123376|0.136427|0.130406|0.107692|0.214522|0.212241|0.303000|0.500000| |1.478172|1.676348|1.766095|2.056006|2.131454|3.446244|2.634126|4.137475|3.267173|0.091064|4.035065|6.940887|4.290781|3.251220|2.756949|2.526171|3.193558|0.060518|0.060321|2.634242|2.903967|7.233596|12.462813|8.966509|17.737035|8.886086|5.691390|6.787228|5.697336|7.590176|3.349721|2.948298|2.452578|2.285309|2.461155|2.965154|0.039668|0.039606|0.039938|0.047988|0.047525|0.046891|0.047332|0.059820|0.058913|0.055617|0.056416|0.076648|0.101020|0.117523|0.117250|0.122424|0.079294|0.068092|0.075664|0.062654|0.079236|0.066292|0.071221|0.087702|0.500000| |1.241628|1.378061|1.443153|1.631246|1.694163|2.643966|2.039745|3.334476|2.420626|0.067238|2.757138|4.571251|3.180700|2.533606|2.271596|2.206762|2.820401|0.055152|0.052841|2.283861|2.359118|4.123064|6.859102|5.631651|8.855898|17.758558|8.911612|7.755660|5.045357|6.602424|3.190216|2.990257|2.532080|2.315743|2.407988|2.792303|0.033494|0.033430|0.033776|0.039289|0.038850|0.038655|0.039086|0.047030|0.046269|0.044864|0.045581|0.057057|0.071597|0.076981|0.093603|0.090671|0.065055|0.056415|0.067527|0.055847|0.070259|0.058588|0.058323|0.069951|0.212045|0.500000| |1.168604|1.285046|1.357747|1.518912|1.602462|2.476464|1.950717|3.270334|2.284607|0.061922|2.521656|4.222161|3.101777|2.517219|2.282974|2.330946|3.057321|0.061194|0.056278|2.506583|2.452472|3.600303|5.715659|5.023986|5.684515|8.906849|17.726105|12.723999|5.939087|7.831623|4.118255|4.104030|3.425405|3.005589|3.014552|3.446475|0.031566|0.031334|0.032104|0.036589|0.035802|0.036437|0.037265|0.043708|0.042371|0.042524|0.043894|0.052196|0.066945|0.067293|0.097814|0.084944|0.063765|0.056370|0.072959|0.058779|0.079884|0.065141|0.059978|0.072794|0.124199|0.213118|0.500000| |1.274033|1.398323|1.523402|1.705264|1.882534|2.923787|2.441707|4.275570|2.857726|0.074068|2.929746|4.967189|4.183712|3.571419|3.287450|3.774316|5.308908|0.111110|0.090560|4.603920|3.808727|3.621534|5.351647|4.378690|3.664481|3.767028|4.787673|9.085783|6.187125|12.771979|8.926846|17.742896|8.882760|5.630019|4.948574|5.641110|0.034570|0.033618|0.035419|0.039479|0.038322|0.041099|0.042535|0.048571|0.046440|0.050147|0.052874|0.059115|0.078651|0.072314|0.152132|0.104940|0.085855|0.078621|0.126218|0.090827|0.172249|0.118390|0.088398|0.109668|0.085196|0.088394|0.123826|0.500000| |1.163251|1.257805|1.362413|1.491686|1.633139|2.453959|2.010913|3.609312|2.221662|0.057553|2.247604|3.533361|2.830556|2.649684|2.521165|2.908353|4.367414|0.096587|0.078114|3.618332|2.954946|2.575820|4.050621|2.902253|2.564583|2.661988|3.224745|5.377127|3.663873|7.467919|5.669044|8.939519|17.720215|8.909384|5.648994|4.951652|0.031571|0.030773|0.032622|0.035549|0.034211|0.036799|0.038480|0.042492|0.040239|0.043668|0.046594|0.049104|0.062315|0.056366|0.092965|0.072068|0.065257|0.063511|0.090335|0.073748|0.119984|0.103665|0.073213|0.084460|0.062463|0.065891|0.089344|0.214509|0.500000| |1.183132|1.273633|1.372769|1.490155|1.615222|2.389591|1.922355|3.454069|2.061002|0.052578|2.124185|3.224440|2.448779|2.367144|2.192159|2.417876|3.748966|0.080640|0.070180|3.206961|2.745199|2.378469|3.872737|2.572024|2.271486|2.306190|2.691419|4.378995|3.124277|6.495554|4.968518|5.638312|8.907164|17.728915|8.914713|5.640142|0.031883|0.031352|0.033461|0.036312|0.034332|0.036745|0.039203|0.042939|0.039745|0.042713|0.046752|0.047741|0.060952|0.053401|0.077073|0.061408|0.056114|0.056835|0.071303|0.061499|0.098508|0.098070|0.070441|0.081161|0.056398|0.057672|0.073712|0.123876|0.214785|0.500000| |1.329113|1.444121|1.554145|1.702262|1.830993|2.723618|2.162675|3.817002|2.308855|0.057614|2.473852|3.714288|2.666627|2.581925|2.272920|2.387756|3.708914|0.075887|0.070776|3.361443|3.088172|2.795050|4.649262|2.926549|2.517855|2.468854|2.803590|4.605894|3.496672|7.540059|5.668411|4.946732|5.646983|8.913372|17.726477|8.930456|0.035429|0.035211|0.037715|0.041704|0.038694|0.040981|0.044611|0.049988|0.045004|0.047447|0.053399|0.054759|0.073642|0.061724|0.082196|0.065157|0.057685|0.059296|0.068921|0.059585|0.099781|0.103852|0.079723|0.097168|0.062799|0.061040|0.074006|0.107464|0.124127|0.214722|0.500000| 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