Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)Oc2c(cccn2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCn5cccn5 C39694593 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)Oc2c(cccn2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCn5cccn5 C01[X(C27H33N6O3)] 201 C1 606 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccc(cc1)C)NCCn1cccn1 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccc(cc1)C)NCCn1cccn1 Cc1ccc(Oc2ncccc2C(=O)N3C[C@@H](C(=O)NCCn4cccn4)C5(CC[NH2+]CC5)C3)cc1 InChIKey=MJWQUEVGQNNYLA-QHCPKHFHSA-O InChI=1S/C27H32N6O3/c1-20-5-7-21(8-6-20)36-25-22(4-2-11-30-25)26(35)32-18-23(27(19-32)9-13-28-14-10-27)24(34)29-15-17-33-16-3-12-31-33/h2-8,11-12,16,23,28H,9-10,13-15,17-19H2,1H3,(H,29,34)/p+1/t23-/m0/s1 InChI=1/C27H32N6O3/c1-20-5-7-21(8-6-20)36-25-22(4-2-11-30-25)26(35)32-18-23(27(19-32)9-13-28-14-10-27)24(34)29-15-17-33-16-3-12-31-33/h2-8,11-12,16,23,28H,9-10,13-15,17-19H2,1H3,(H,29,34)/p+1/t23-/m0/s1/fC27H33N6O3/h28-29H/q+1 Cc1ccc(cc1)Oc2c(cccn2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCn5cccn5 C01[X(C27H33N6O3)] 201 C01 606 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccnc1Oc1ccc(cc1)C)NCCn1cccn1 O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1cccnc1Oc1ccc(cc1)C)NCCn1cccn1 Cc1ccc(Oc2ncccc2C(=O)N3C[C@@H](C(=O)NCCn4cccn4)C5(CC[NH2]CC5)C3)cc1 InChIKey=DASNJNARDGFFHO-QHCPKHFHSA-N InChI=1S/C27H33N6O3/c1-20-5-7-21(8-6-20)36-25-22(4-2-11-30-25)26(35)32-18-23(27(19-32)9-13-28-14-10-27)24(34)29-15-17-33-16-3-12-31-33/h2-8,11-12,16,23H,9-10,13-15,17-19,28H2,1H3,(H,29,34)/t23-/m0/s1 InChI=1/C27H33N6O3/c1-20-5-7-21(8-6-20)36-25-22(4-2-11-30-25)26(35)32-18-23(27(19-32)9-13-28-14-10-27)24(34)29-15-17-33-16-3-12-31-33/h2-8,11-12,16,23H,9-10,13-15,17-19,28H2,1H3,(H,29,34)/t23-/m0/s1/f/h29H 3824.3762596340 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0.5007 1.5914 1.5380 3.4998 4.5885 6.1328 1.1218 1.2201 2.7206 2.7537 1.7745 11.5400 7.3317 5.9407 0.6683 2.4047 3.6993 9.1708 1.8623 4.9269 1.1399 23.5605 1.0892 1.3010 3.0702 3.4952 10.1443 6.8421 4.9260 0.5439 2.9947 5.9995 4.6099 1.1050 5.2831 2.2067 9.2721 3.1565 5.3766 1.7576 3.1997 0.6294 1.3814 0.0952 2.4289 12.0363 2.8301 3.3625 8.8934 3.4172 2.2828 5.6062 1.1247 0.4708 8.0871 24.7679 5.7038 8.8825 6.8736 8.7189 7.2320 4.4692 1.5872 7.7989 4.6693 10.0030 4.8792 3.1661 9.6819 0.8765 8.3222 3.5379 2.6640 5.9689 6.7911 9.5088 14.9312 12.4904 3.3803 10.3770 1.1243 11.0307 4.8685 2.9327 0.4529 1.4260 7.4131 2.5483 2.0616 2.0381 38.8633 1.9426 2.0984 0.5370 15.9550 6.3256 20.2613 0.3727 1.1955 3.9067 8.1162 19.9362 24.2414 15.5530 14.0558 5.2581 3.1231 1.5779 2.0767 12.3736 7.2419 0.4165 2.3973 0.3859 8.0404 8.6741 38.9985 50.5331 5.1447 2.7155 20.2225 4.3843 93.6631 178.2079 33.5091 87.1170 57.0577 92.8123 30.4521 68.4625 102.6175 68.3506 84.4604 59.9107 104.1743 65.4919 51.2489 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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 67 68 69 6 6 6 6 6 6 6 8 6 6 6 6 6 7 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 7 6 6 6 7 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 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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 10399.4901 40298.6114 41866.1618 0.99997 -0.00242 -0.00722 0.00231 0.99988 -0.01531 0.00726 0.01529 0.99986 1 0.00833 0.00215 0.00207 0.17354 0.04478 0.04311 6.69 15.23 20.30 29.94 33.67 38.47 41.56 50.80 71.07 73.79 87.60 92.17 102.88 135.20 156.79 182.59 188.35 215.42 235.39 255.99 281.55 308.52 345.02 375.58 406.53 443.75 456.55 477.89 488.27 507.53 512.79 528.80 567.93 582.55 593.46 612.64 663.12 670.51 671.59 673.05 701.20 712.56 752.04 794.68 796.17 827.09 844.18 866.15 969.15 975.48 979.25 1000.25 1012.54 1049.59 1055.86 1097.17 1126.91 1172.78 1183.61 1196.35 1200.48 1219.98 1225.73 1232.54 1236.37 1262.60 1265.02 1279.71 1289.07 1313.83 1345.75 1354.96 1368.41 1377.72 1392.25 1407.93 1420.70 1449.43 1455.00 1484.83 1485.71 1511.25 1515.74 1541.72 1549.48 1557.30 1572.55 1575.36 1578.11 1592.84 1606.88 1616.57 1618.27 1630.04 1640.46 1642.05 1650.91 1674.79 1685.54 1689.43 1707.17 1716.06 1725.74 1738.63 1742.76 1774.15 1798.60 1852.99 1855.25 1868.63 1872.14 1899.22 1903.34 1904.12 1915.11 1921.06 1933.57 1955.13 1986.95 1993.83 1996.83 2019.27 2051.06 2077.53 2079.17 2084.77 2087.26 2089.10 2095.53 2104.53 2117.79 2160.09 2170.08 2196.99 2202.65 2221.52 2235.99 2236.78 2246.58 2250.89 2255.83 2257.46 2257.86 2266.22 2277.44 2310.76 2341.88 2349.84 2352.42 2353.99 2355.95 2357.06 2364.34 2369.56 2371.63 2381.62 2397.63 2407.38 2433.78 2467.50 2499.42 2569.06 2572.51 2603.07 2622.09 2629.34 2764.80 2769.55 4596.35 4608.59 4615.73 4666.52 4680.40 4696.90 4698.74 4709.61 4710.31 4720.68 4726.28 4733.23 4762.44 4771.17 4783.66 4799.09 4800.42 4804.35 4825.27 4839.58 4840.17 4852.16 4860.15 4873.47 4877.09 4877.15 4911.75 4944.09 4957.67 4987.56 5279.52 5370.95 5599.24 0.629184 0.659951 0.660895 0.557624 -1592.118521 -1592.087753 -1592.086809 -1592.190080 3.463726D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1ccc(cc1)Oc2c(cccn2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCn5cccn5 C39694593 RHF 6-31G(d) (6D,10F) C1 489.261414 |X|Y|Z| 58.722664 50.911707 139.271811 74.672761 33 6 7 8 26 6 1 |36.858105| |12.605740|36.858105| |7.543622|13.700297|36.858105| |5.006552|7.875843|13.757182|36.858105| |4.441132|6.856166|7.994749|13.820262|36.858105| |5.006246|7.876360|6.891173|7.935533|13.810912|36.858105| |7.542819|13.701634|7.987822|6.890356|7.991994|13.755450|36.858105| |3.357152|4.575747|5.217570|7.964885|13.742297|7.992315|5.224737|73.516695| |2.930524|3.794126|4.217442|5.819085|8.023368|5.975021|4.275857|25.132746|36.858105| |2.440566|3.017094|3.260171|4.176953|5.295388|4.455698|3.386935|14.545760|13.626429|36.858105| |2.166374|2.595375|2.777434|3.397890|4.024689|3.549188|2.858048|9.468964|8.034955|13.817235|36.858105| |2.204058|2.618642|2.808179|3.375863|3.860488|3.427406|2.838066|8.367054|7.049374|7.968731|13.708501|36.858105| |2.558117|3.102975|3.376841|4.125705|4.690249|4.051721|3.337234|9.688109|8.451556|7.039009|8.047016|13.831782|36.858105| |3.021357|3.864289|4.322165|5.713747|6.952626|5.461329|4.211849|14.772485|14.655737|7.997720|6.903444|7.990304|14.342247|53.358707| |2.301464|2.809057|2.982740|3.721123|4.681769|4.127117|3.178266|12.311636|7.583590|12.700493|7.549180|5.033108|4.535312|6.953665|36.858105| |2.350899|2.859805|2.931804|3.548623|4.583671|4.372688|3.343891|11.072551|6.170408|8.074331|5.655383|4.184928|3.911553|6.036410|15.853731|73.516695| |2.068442|2.471065|2.665124|3.271017|3.824174|3.334570|2.698636|9.337537|5.471386|7.798409|6.010912|4.251940|3.780300|5.572118|13.940867|15.079326|53.358707| |2.028400|2.410767|2.681560|3.320229|3.658005|3.066426|2.543032|8.699709|5.095437|6.450987|5.412451|4.132975|3.747472|5.479304|7.612554|9.528437|17.771364|36.858105| |1.970550|2.312643|2.575856|3.115668|3.315349|2.819091|2.401200|7.377827|3.936626|4.454997|3.781480|3.114591|2.955505|4.397279|5.387682|7.859854|10.776059|12.145434|36.858105| |2.097411|2.472638|2.818490|3.442238|3.533534|2.929139|2.516673|7.692332|3.946986|4.169492|3.505916|2.996362|2.943605|4.476326|4.717829|7.053203|8.223583|8.701344|17.573187|0.500000| |2.003483|2.351259|2.547414|3.032560|3.343364|2.951468|2.498515|7.357256|3.762924|4.267768|3.515704|2.868788|2.736799|4.125007|5.784034|9.297980|11.079574|7.715036|12.213806|0.242469|36.858105| |1.930891|2.265891|2.406417|2.857797|3.270798|2.962131|2.466879|7.394360|4.035659|5.038484|4.186572|3.232660|2.957371|4.349145|7.860912|12.473441|17.927610|8.104436|7.969793|0.161042|12.362502|36.858105| |2.346093|2.814912|3.063363|3.702990|4.141680|3.608770|3.008720|9.014134|4.157714|4.348997|3.404984|2.848010|2.835157|4.471190|5.711640|9.841761|8.757133|5.942817|7.592401|0.210250|12.317112|7.462241|36.858105| |2.337322|2.762736|2.871964|3.315547|3.786682|3.572417|3.031732|7.703797|3.582580|3.714051|2.983921|2.534558|2.529136|3.951582|4.859251|9.591199|6.761482|4.247975|4.889345|0.131711|7.436066|6.077466|12.532715|36.858105| 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|1.798590|2.058164|2.198083|2.519912|2.708253|2.470765|2.164930|5.607583|2.894499|3.190488|2.767186|2.340515|2.242114|3.318736|4.039074|6.936093|6.942746|4.966318|7.254682|0.168685|12.389572|7.427115|7.646874|6.451673|10.390844|0.157087|0.193351|12.486423|36.858105| |1.710972|1.960889|2.161467|2.529239|2.635026|2.303917|2.016316|5.593868|3.091828|3.489203|3.194619|2.712286|2.534897|3.632322|4.006709|6.093617|7.503688|7.568551|12.494150|0.246840|7.351855|5.894494|4.955533|3.735125|4.940954|0.085381|0.098690|4.278851|6.447916|36.858105| |1.583423|1.799201|1.949747|2.249032|2.373575|2.124959|1.867516|4.994622|2.803796|3.231585|3.037051|2.564642|2.354442|3.316812|3.780023|5.893647|7.055288|6.173365|7.985947|0.163681|6.462183|5.980500|4.303824|3.490763|4.774622|0.084110|0.093191|4.374268|6.358164|15.790409|73.516695| |1.661063|1.885852|2.101367|2.433062|2.457265|2.138124|1.903402|5.070960|2.802137|3.040600|2.837145|2.504476|2.382245|3.397191|3.294104|5.078567|5.681109|5.655991|7.836130|0.211895|5.146686|4.218088|4.050990|3.145435|4.194616|0.073854|0.086565|3.468896|4.802993|14.196992|15.128809|53.358707| |1.479931|1.654443|1.824091|2.067937|2.078582|1.842863|1.664764|4.194986|2.353302|2.545490|2.453813|2.212735|2.093370|2.924944|2.707669|4.264787|4.498962|4.146987|4.998788|0.133857|3.823879|3.365477|3.125369|2.579456|3.523691|0.063663|0.072768|2.930861|3.805460|7.758237|12.134258|17.803454|36.858105| |1.389626|1.537998|1.677293|1.871534|1.882019|1.695944|1.547976|3.734777|2.063479|2.212648|2.117441|1.916720|1.827286|2.567296|2.392057|3.878590|3.897973|3.366028|4.147385|0.111591|3.511353|3.054274|2.908755|2.485766|3.536250|0.064329|0.073993|2.991772|3.810271|5.934842|10.363392|10.463318|12.460799|36.858105| |1.266509|1.387671|1.504889|1.659022|1.661274|1.511067|1.392377|3.254777|1.814839|1.934862|1.882983|1.731612|1.650986|2.294082|2.056626|3.364454|3.266852|2.755014|3.192091|0.086508|2.786841|2.520464|2.385121|2.094962|2.975034|0.055216|0.062086|2.475859|2.987671|4.199977|7.592673|6.940273|7.784599|13.227675|53.358707| |1.176981|1.283606|1.379314|1.511820|1.524739|1.401619|1.294487|2.978992|1.672206|1.793562|1.763363|1.624098|1.538436|2.121123|1.909464|3.152502|3.007821|2.468551|2.777794|0.073925|2.504766|2.335539|2.146508|1.926568|2.752527|0.051740|0.056877|2.307179|2.705255|3.553502|6.767974|5.424527|5.480902|7.582369|19.290767|36.858105| |1.108523|1.200790|1.289065|1.401965|1.404460|1.295088|1.204932|2.716918|1.528998|1.624239|1.607296|1.500474|1.428821|1.961591|1.704670|2.824514|2.637440|2.153656|2.371829|0.064143|2.146769|2.016332|1.886014|1.706778|2.421107|0.045902|0.050180|1.987901|2.281278|2.909927|5.396256|4.461532|4.312199|5.303639|11.898230|13.977186|36.858105| |1.147163|1.242048|1.342972|1.459885|1.447394|1.325837|1.236948|2.788322|1.563514|1.643461|1.619646|1.522227|1.462080|2.014727|1.708576|2.817268|2.632977|2.184049|2.418856|0.066859|2.150162|1.987632|1.914767|1.714926|2.412528|0.045535|0.050436|1.950142|2.254473|2.940710|5.235201|4.708206|4.606176|5.498622|12.350575|8.726424|13.503901|36.858105| |1.243450|1.354961|1.475472|1.616095|1.598434|1.451384|1.347572|3.097710|1.726986|1.814682|1.771292|1.653446|1.591630|2.209458|1.895063|3.101761|2.955467|2.500587|2.842514|0.079310|2.469976|2.233642|2.181275|1.919758|2.696543|0.050319|0.056682|2.185109|2.589085|3.549404|6.149757|5.998872|6.272414|7.957615|19.431670|8.586298|8.484579|14.621666|53.358707| |17.573726|8.832841|7.079970|4.696321|3.970048|4.192537|5.640337|5.502056|2.698089|2.274867|2.026916|2.055246|2.362668|3.761895|2.162403|3.891068|2.692996|1.967161|1.938705|0.057872|1.958434|1.860428|2.291624|2.266151|2.703372|0.053685|0.056062|1.758126|1.773631|1.693353|2.774296|2.258844|1.481592|1.395913|1.733853|1.180159|1.114192|1.158033|1.710372|0.500000| |17.574554|8.833352|5.636563|4.190602|3.969836|4.698887|7.087664|5.503900|2.709914|2.305762|2.049959|2.064774|2.354075|3.734406|2.213856|4.089040|2.706148|1.924741|1.879971|0.055105|1.940970|1.879974|2.273127|2.319520|2.749815|0.055429|0.056187|1.777287|1.759758|1.638641|2.716607|2.152827|1.414078|1.337493|1.661399|1.139124|1.072217|1.105052|1.625945|0.301696|0.500000| |17.539349|8.853290|6.270625|4.449872|3.993757|4.444469|6.258243|5.514790|2.807898|2.344076|2.119770|2.196512|2.571267|4.059467|2.174951|3.923121|2.659933|1.922100|1.846643|0.054284|1.859607|1.811608|2.136323|2.113107|2.508918|0.049990|0.051194|1.655835|1.670460|1.618285|2.672732|2.145459|1.414397|1.324249|1.652107|1.131306|1.069355|1.106438|1.626219|0.302206|0.302219|0.500000| |6.996383|8.912435|17.708313|8.956311|5.679589|4.960774|5.663701|7.501335|3.571799|2.860399|2.497991|2.547320|3.025293|5.054795|2.631400|4.553233|3.285453|2.478416|2.415452|0.074098|2.354048|2.200119|2.780983|2.589357|3.011780|0.058116|0.062575|1.977310|2.063682|2.063149|3.300631|2.776447|1.785469|1.645696|2.020892|1.357458|1.275673|1.337027|1.998183|0.212313|0.143066|0.168471|0.500000| |4.079787|5.611915|8.879799|17.731075|8.950786|5.653096|4.962154|12.937577|5.689601|4.196586|3.457065|3.438952|4.162340|7.638732|3.703621|6.040523|4.600982|3.603784|3.393056|0.107223|3.162733|2.919878|3.789295|3.238259|3.607668|0.067377|0.074033|2.400435|2.607917|2.745486|4.259113|3.656962|2.260541|2.018191|2.424024|1.607891|1.490724|1.564051|2.373197|0.111268|0.096497|0.103747|0.215038|0.500000| |4.077243|5.609245|4.962018|5.654755|8.953822|17.723582|8.869150|13.022285|5.954245|4.742764|3.755270|3.534577|4.025757|7.078816|4.523768|9.061677|4.780185|3.093724|2.806676|0.078966|3.010320|3.131050|3.623657|3.709089|3.926451|0.077623|0.075215|2.539169|2.517517|2.299716|3.826038|2.860893|1.817964|1.678209|2.036165|1.396482|1.286549|1.307842|1.942548|0.096532|0.111303|0.103487|0.107667|0.124569|0.500000| |6.993759|8.911770|5.663390|4.960380|5.678203|8.956207|17.708632|7.514005|3.635348|3.016745|2.604655|2.587103|2.974215|4.885806|2.881244|5.503010|3.346889|2.290811|2.172313|0.062485|2.286611|2.284582|2.709604|2.807776|3.185532|0.064229|0.063188|2.050387|2.015731|1.850991|3.083942|2.373874|1.540736|1.443959|1.777898|1.222049|1.139833|1.165399|1.718955|0.143205|0.212791|0.167832|0.124253|0.107670|0.214742|0.500000| |1.943839|2.285360|2.421107|2.889700|3.351622|3.036036|2.504876|7.604964|5.675515|8.938098|17.713470|8.877497|5.683077|6.761330|6.943384|9.520280|8.357165|5.363013|3.747338|0.093420|3.507200|4.368684|3.244145|2.874329|3.354901|0.063553|0.063201|2.551884|2.803779|3.281734|5.725054|3.904154|2.516479|2.172404|2.637643|1.831896|1.662316|1.658600|2.458065|0.050843|0.051572|0.052806|0.061233|0.081814|0.089961|0.064448|0.500000| |1.995101|2.316414|2.460826|2.869309|3.187884|2.904229|2.483148|6.614927|5.047312|5.647890|8.846577|17.757817|8.915488|7.747990|4.079945|6.238186|4.933976|3.569104|2.767333|0.073691|2.547851|2.866294|2.489984|2.243584|2.658039|0.051025|0.051372|1.967102|2.130468|2.493339|4.253643|3.168350|2.102282|1.825842|2.273214|1.578884|1.467679|1.484600|2.177102|0.051941|0.052166|0.055685|0.063017|0.081373|0.083165|0.063882|0.212087|0.500000| |2.532857|3.002549|3.247390|3.797223|4.098629|3.649836|3.155528|7.822448|5.946468|5.039614|5.678346|8.915667|17.727141|12.719314|3.613384|5.733045|4.250216|3.141093|2.571958|0.071859|2.385354|2.537052|2.473712|2.236091|2.608926|0.050188|0.051187|1.864839|2.000362|2.256632|3.741313|2.936637|1.926478|1.692291|2.103627|1.444397|1.352723|1.388086|2.044831|0.065031|0.064360|0.072176|0.082390|0.106289|0.099058|0.078968|0.124154|0.213555|0.500000| |2.206527|2.662720|3.036407|3.891031|4.237893|3.388640|2.780170|10.447448|6.278737|7.423629|5.972936|4.705386|4.423513|6.664373|7.250917|9.042981|12.328355|17.667978|8.635660|0.226694|5.983163|5.908746|5.465900|3.949834|4.447149|0.078989|0.086570|3.338940|4.120839|5.837854|8.413179|6.810076|3.760898|3.051561|3.469362|2.274389|2.020837|2.078744|3.230505|0.059392|0.057404|0.058182|0.077700|0.121128|0.092756|0.068357|0.150439|0.109173|0.101106|0.500000| |1.844551|2.156194|2.379197|2.874512|3.113155|2.671902|2.261039|7.074500|4.327503|5.503866|5.260343|4.090909|3.563862|4.939995|5.991385|7.934575|12.371276|17.608837|8.675053|0.182320|5.894563|6.557071|4.527758|3.496958|4.215176|0.075466|0.080999|3.407953|4.336754|7.680925|12.006555|7.995242|4.525608|3.533136|3.980020|2.639598|2.294320|2.310286|3.585578|0.049779|0.048698|0.049035|0.061830|0.086508|0.075147|0.057224|0.155171|0.101834|0.084287|0.302517|0.500000| |1.743224|2.013557|2.132220|2.488392|2.785702|2.550340|2.170241|6.099824|3.435410|4.268170|3.826169|3.006793|2.701193|3.853448|5.930923|9.487586|12.479554|7.030073|7.016462|0.140809|8.839377|17.599354|5.477241|4.714986|6.015504|0.106480|0.106408|5.620829|7.004773|6.301665|13.081460|5.946218|3.602505|3.286223|3.690246|2.546579|2.168339|2.104447|3.206427|0.046842|0.047209|0.045775|0.054824|0.071056|0.074563|0.056350|0.115742|0.076013|0.065253|0.141565|0.184039|0.500000| |1.957400|2.293111|2.383912|2.792833|3.265480|3.065546|2.545183|7.232949|3.893178|4.777350|3.951717|3.085061|2.846223|4.204981|7.634401|14.849903|12.508354|5.802954|5.639975|0.127016|8.535786|17.709982|6.831988|6.737942|7.580463|0.135614|0.124004|6.303166|6.352657|4.459688|8.158386|4.665699|2.843869|2.650564|3.047214|2.103072|1.836368|1.803792|2.724774|0.052007|0.053500|0.050882|0.060028|0.077292|0.092444|0.066305|0.113983|0.076161|0.068139|0.131398|0.136630|0.301138|0.500000| |2.601637|3.223491|3.563499|4.537540|5.324429|4.395986|3.492991|12.649659|5.382220|5.443486|3.978634|3.291451|3.335027|5.467980|7.113140|11.752884|9.785304|6.510943|6.985557|0.200400|8.678599|6.858364|17.620895|9.037114|7.646307|0.127313|0.144125|4.875741|5.511624|4.507860|6.917156|5.157150|2.946564|2.672640|3.033320|2.011075|1.786538|1.822550|2.810517|0.069793|0.069242|0.065703|0.087653|0.128301|0.121510|0.085275|0.101482|0.077941|0.079267|0.180983|0.132267|0.139115|0.176630|0.500000| |2.367227|2.812418|3.120384|3.719345|3.920930|3.376371|2.909677|8.053521|3.702340|3.712408|3.002221|2.595782|2.627783|4.140007|4.463839|7.587518|6.764722|5.111572|6.978399|0.226145|8.813861|5.473209|17.498715|8.915319|9.483224|0.144747|0.206903|5.779631|6.952006|4.840578|7.215150|5.732052|3.222890|3.034664|3.363248|2.190123|1.930761|1.984993|3.107738|0.065348|0.063345|0.059528|0.080293|0.108246|0.091175|0.072418|0.079093|0.063673|0.064762|0.136696|0.112538|0.123293|0.138184|0.304823|0.500000| |2.279128|2.693749|2.745029|3.163193|3.740960|3.643936|3.038412|7.751596|3.716134|3.983627|3.189433|2.662273|2.618457|4.054568|5.496722|12.003738|7.268591|4.200793|4.479695|0.115606|6.658442|6.654951|8.763864|17.653924|12.337753|0.224022|0.180706|6.820710|5.643622|3.498540|6.002650|3.965087|2.429841|2.327565|2.702185|1.849112|1.641335|1.635883|2.469915|0.060527|0.063239|0.057742|0.068121|0.084547|0.109778|0.079319|0.086189|0.065376|0.063856|0.107165|0.097358|0.140569|0.238129|0.213759|0.173337|0.500000| |2.594471|3.079705|3.159445|3.578337|4.062725|3.925709|3.387495|7.779288|3.491336|3.445950|2.777647|2.419621|2.471180|3.918155|4.236787|8.411705|5.596982|3.646111|4.073606|0.115151|5.434846|4.614109|8.782537|17.628902|12.354555|0.221308|0.226295|5.563879|4.877488|3.197809|5.269993|3.814275|2.332997|2.253969|2.622537|1.772355|1.588562|1.606666|2.437255|0.069946|0.072100|0.064060|0.078506|0.094742|0.111340|0.087045|0.073132|0.059499|0.061290|0.098331|0.084693|0.104109|0.139510|0.214232|0.215942|0.301534|0.500000| |1.753411|1.991241|2.053003|2.306730|2.559715|2.455693|2.154640|5.206102|2.708095|3.013921|2.632067|2.220783|2.115433|3.111732|3.930361|7.508590|6.111033|3.803863|4.419849|0.106942|6.734858|6.691225|5.731690|6.875880|12.433692|0.225578|0.181343|17.634412|8.750447|3.954875|7.460202|4.322783|2.729104|2.744833|3.149198|2.191818|1.896760|1.844234|2.780180|0.047403|0.048526|0.045268|0.052858|0.063983|0.071990|0.057055|0.074989|0.056467|0.052553|0.090876|0.094894|0.175325|0.215227|0.127463|0.133275|0.203185|0.141866|0.500000| |1.661388|1.858008|1.928999|2.131721|2.285571|2.179035|1.963095|4.508310|2.323714|2.498342|2.214257|1.923353|1.860410|2.735955|3.059437|5.631406|4.727725|3.231289|3.982191|0.101746|5.464290|4.617487|4.915385|5.561961|12.370293|0.222561|0.225590|17.624740|8.764893|3.781248|6.987932|4.344268|2.792097|2.955533|3.372112|2.331734|2.009500|1.958528|2.968179|0.045569|0.045963|0.042779|0.050508|0.059761|0.062307|0.051959|0.062398|0.049325|0.046901|0.079337|0.081896|0.125351|0.131320|0.107777|0.130049|0.141229|0.126474|0.301545|0.500000| |1.795370|2.041050|2.200424|2.502122|2.619151|2.371925|2.110334|5.300814|2.706104|2.892899|2.525578|2.184232|2.123476|3.154825|3.493036|5.952297|5.785053|4.427828|6.683620|0.174947|8.775066|5.444696|6.877907|5.672677|9.336722|0.143399|0.203083|8.883233|17.499738|6.250216|10.155579|6.951601|4.017429|4.159395|4.346474|2.821944|2.380551|2.387803|3.790670|0.049690|0.048642|0.046188|0.058076|0.072729|0.065973|0.054391|0.070189|0.055418|0.053138|0.106817|0.108507|0.143348|0.132316|0.140373|0.205817|0.131073|0.128346|0.173037|0.215368|0.500000| |1.647226|1.868240|1.988703|2.263849|2.423550|2.224594|1.961717|5.004485|2.666497|2.991323|2.679540|2.268790|2.139553|3.103042|3.720953|6.310132|6.517870|4.735369|6.537543|0.146006|8.772936|6.888471|5.525517|4.847651|7.601105|0.126953|0.142905|8.992880|17.638238|6.988676|14.350895|6.838611|4.152545|4.255770|4.494891|3.033573|2.499452|2.421621|3.775895|0.045092|0.044769|0.042864|0.052162|0.065259|0.063229|0.051057|0.077083|0.058113|0.053251|0.106919|0.122399|0.213625|0.160690|0.122640|0.141310|0.126529|0.107354|0.213832|0.212581|0.303790|0.500000| |1.761583|2.007484|2.271868|2.647295|2.620518|2.243768|2.002489|5.371666|2.930629|3.090091|2.847140|2.550457|2.474714|3.574173|3.266613|5.022364|5.457555|5.520235|7.493279|0.242069|4.871607|3.910959|4.130112|3.149532|4.114080|0.072403|0.086183|3.263429|4.387255|9.420362|10.878059|26.089685|9.018054|6.104865|6.014088|3.476707|2.977797|3.231573|5.576205|0.049153|0.046266|0.046338|0.061692|0.082817|0.060446|0.050545|0.078135|0.065349|0.062434|0.146306|0.151047|0.107632|0.089846|0.109654|0.123702|0.079896|0.079430|0.082416|0.083177|0.132963|0.120463|0.500000| |1.467685|1.633254|1.812252|2.043823|2.023125|1.787357|1.627164|4.032817|2.268075|2.408640|2.338667|2.152496|2.057957|2.866303|2.495840|3.936495|4.029690|3.707615|4.275228|0.120513|3.307080|2.933458|2.832395|2.354258|3.182823|0.057999|0.066235|2.573349|3.232320|5.790817|8.914057|12.577965|17.638248|8.890852|9.819522|5.036665|4.297332|4.960717|9.528502|0.040998|0.038780|0.039095|0.049737|0.062605|0.048590|0.041755|0.065885|0.057083|0.053128|0.097709|0.111366|0.085248|0.070088|0.075576|0.082150|0.061531|0.060177|0.066724|0.068350|0.095545|0.094888|0.233380|0.500000| |1.427434|1.595215|1.746512|1.980208|2.012955|1.796121|1.616928|4.088846|2.338536|2.578529|2.540772|2.280975|2.119015|2.914370|2.735645|4.287802|4.574993|4.166629|4.669202|0.119020|3.643107|3.390128|2.936282|2.459394|3.339780|0.060907|0.067793|2.805575|3.573946|7.173278|12.861143|12.464412|17.619090|8.851735|9.452183|5.579457|4.358475|4.395298|7.470135|0.039473|0.037957|0.038070|0.047256|0.059685|0.049611|0.041732|0.073773|0.060812|0.054103|0.103111|0.133581|0.103916|0.079508|0.077789|0.081769|0.065609|0.061532|0.074348|0.073982|0.100398|0.111043|0.185035|0.301910|0.500000| |1.377060|1.526016|1.650441|1.842142|1.876689|1.704593|1.549743|3.744054|2.066907|2.244420|2.141991|1.915885|1.813163|2.548114|2.478085|4.051335|4.086021|3.430525|4.268474|0.110002|3.781183|3.318337|3.031847|2.625283|3.810045|0.069246|0.078846|3.346106|4.307123|6.231976|12.220969|9.291178|8.842208|17.628037|12.612454|7.225244|4.849981|4.593498|7.937329|0.038263|0.037001|0.036395|0.044663|0.054623|0.047248|0.040318|0.061632|0.050648|0.046424|0.084156|0.099873|0.101876|0.079922|0.076126|0.086303|0.068717|0.065192|0.085442|0.092761|0.128022|0.141546|0.146780|0.174311|0.215732|0.500000| |1.429707|1.579262|1.728483|1.920547|1.912864|1.720719|1.579150|3.759022|2.044278|2.157119|2.036260|1.852452|1.789945|2.543227|2.331549|3.809956|3.748709|3.219849|4.080960|0.114826|3.510799|2.947504|2.998703|2.559451|3.676155|0.066564|0.078618|3.053449|3.875474|5.433697|8.898178|9.670202|8.843079|17.594414|12.595456|5.889347|4.579933|5.015722|9.916957|0.040118|0.038208|0.037684|0.047338|0.057676|0.046997|0.040841|0.057300|0.048730|0.046148|0.082526|0.090756|0.085713|0.071729|0.075804|0.089465|0.065437|0.065041|0.076104|0.084558|0.123637|0.115565|0.173377|0.210186|0.173831|0.300977|0.500000| |1.171259|1.279379|1.367518|1.500902|1.527449|1.410992|1.298774|2.997602|1.685055|1.824625|1.794878|1.639471|1.542815|2.125049|1.965352|3.259827|3.114031|2.514538|2.823869|0.073608|2.598917|2.458014|2.193801|1.986131|2.861614|0.053922|0.058597|2.443681|2.851657|3.630166|7.255843|5.255993|5.043470|6.767859|12.287464|17.800046|8.580103|5.874650|8.046116|0.032508|0.031589|0.031250|0.037187|0.044077|0.039288|0.034150|0.052217|0.044277|0.040086|0.063435|0.074909|0.075758|0.061619|0.056755|0.061441|0.053323|0.050363|0.065037|0.068970|0.081226|0.091041|0.091946|0.122252|0.148990|0.210984|0.145991|0.500000| 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