Version2.4 2021-06-07T02:17:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)NCCC(=O)[O-])c4ccc(cc4)F C28157362 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)NCCC(=O)[O-])c4ccc(cc4)F C01[X(C25H24F1N4O5S1)] 174 C1 592 CCOc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)NCCC(=O)[O-])c1ccc(cc1)F CCOc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)NCCC(=O)[O-])c1ccc(cc1)F CCOc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@@H](CC(=O)NCCC([O-])=O)S3)c4ccc(F)cc4 InChIKey=YMYOOOGZVKOLSU-LEWJYISDSA-M InChI=1S/C25H25FN4O5S/c1-2-35-18-9-5-16(6-10-18)20-13-19(15-3-7-17(26)8-4-15)29-30(20)25-28-24(34)21(36-25)14-22(31)27-12-11-23(32)33/h3-10,20-21H,2,11-14H2,1H3,(H,27,31)(H,32,33)/p-1/t20-,21+/m0/s1 InChI=1/C25H25FN4O5S/c1-2-35-18-9-5-16(6-10-18)20-13-19(15-3-7-17(26)8-4-15)29-30(20)25-28-24(34)21(36-25)14-22(31)27-12-11-23(32)33/h3-10,20-21H,2,11-14H2,1H3,(H,27,31)(H,32,33)/p-1/t20-,21+/m0/s1/fC25H24FN4O5S/h27H/q-1 CCOc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)NCCC(=O)[O-])c4ccc(cc4)F C01[X(C25H24F1N4O5S1)] 174 C01 592 CCOc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)NCCC(=O)[O-])c1ccc(cc1)F CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1CC(=NN1[C]1[N]C(=O)[C@H](S1)C[C]([NH]CC[C]([O])[O])=O)[C]1[CH][CH][C]([CH][CH]1)F CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2CC(=NN2[C]3[N]C(=O)[C@@H](CC(=O)NCC[C]([O])[O])S3)[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=KLALGILFCDOKQZ-LEWJYISDSA-N InChI=1S/C25H24FN4O5S/c1-2-35-18-9-5-16(6-10-18)20-13-19(15-3-7-17(26)8-4-15)29-30(20)25-28-24(34)21(36-25)14-22(31)27-12-11-23(32)33/h3-10,20-21H,2,11-14H2,1H3,(H,27,31)/t20-,21+/m0/s1 InChI=1/C25H24FN4O5S/c1-2-35-18-9-5-16(6-10-18)20-13-19(15-3-7-17(26)8-4-15)29-30(20)25-28-24(34)21(36-25)14-22(31)27-12-11-23(32)33/h3-10,20-21H,2,11-14H2,1H3,(H,27,31)/t20-,21+/m0/s1/f/h27H 3753.4854570000 -2049.7868083 1-A 29386.4108 134 458 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.89544 -26.28010 -20.54495 -20.46413 -20.42807 -20.28950 -20.28353 -15.58945 -15.57400 -15.47913 -15.47714 -11.30289 -11.29701 -11.27706 -11.25495 -11.25405 -11.25187 -11.24728 -11.24577 -11.22196 -11.21857 -11.21390 -11.21353 -11.20921 -11.20611 -11.20186 -11.19408 -11.19350 -11.19072 -11.18570 -11.18219 -11.18203 -11.16712 -11.13355 -11.12192 -11.06489 -8.90560 -6.58800 -6.58670 -6.58475 -1.59823 -1.37525 -1.35199 -1.32597 -1.29255 -1.21384 -1.17657 -1.14572 -1.12845 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7.3018 7.3464 7.4255 7.4264 7.4805 7.4772 7.5329 9.5521 4.2449 3.1542 0.1765 2.0989 0.2366 0.2702 0.3102 4.2077 12.9839 0.2064 6.0738 2.5608 3.2815 5.9046 0.2774 2.0828 2.0060 0.4190 4.4139 8.1229 1.4361 4.7346 15.7784 6.0278 0.5294 5.6386 12.7092 4.0154 0.3331 2.2438 9.2510 11.5923 11.3751 3.9168 11.6952 5.2980 1.4496 0.2525 0.0633 22.3419 60.6194 4.2834 8.8396 19.0034 18.5515 3.0281 8.0543 20.5113 15.5044 16.6566 8.2063 3.0148 1.0128 20.7943 1.8066 0.5872 25.7053 29.3483 4.7691 16.0016 2.0102 3.5729 0.7476 3.3990 11.0630 5.1154 3.4010 8.2036 3.8252 45.0196 10.4209 0.4638 70.6296 64.9350 15.0971 66.7537 11.5807 40.0216 29.0980 7.9159 1.7306 1.3800 9.7770 12.3763 0.2734 4.9742 35.5013 0.5688 0.3272 10.1980 4.7077 17.8634 44.0148 13.8474 7.1073 8.4604 16.1575 22.7783 46.9273 66.4272 0.9828 28.1050 4.0663 68.1425 20.8091 170.9572 1.5239 22.1581 6.4143 54.4549 296.1676 166.5548 0.9414 127.1605 8.0075 479.3835 3.2060 19.4013 9.3499 3.4184 206.1061 96.6559 49.3652 13.7242 555.7906 16.0997 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0.9415 0.3182 4.3683 21.4137 2.7376 13.9015 4.1904 5.7272 12.0835 1.4846 5.5403 7.5447 18.9570 12.7302 15.4667 1.0072 8.5461 3.4946 26.9418 0.2226 18.5756 16.5743 9.1260 45.4334 34.7497 217.9432 35.3726 16.1191 22.6696 13.0623 3.8783 12.1467 2.4234 68.6024 31.0283 4.2689 2.8678 6.7784 1.0469 5.0115 34.3874 4.9600 3.0495 7.7186 7.0408 14.6420 22.0539 12.6216 18.6695 4.6008 7.5213 46.0586 1.6262 105.8065 32.9780 5.9835 25.7034 399.9954 71.2270 1545.8644 0.6189 9.1580 55.6245 80.8883 66.8594 29.1945 154.2778 64.7784 117.9151 58.0428 58.2127 74.9971 82.4359 56.2406 43.7635 41.2853 84.8098 30.2507 64.2120 38.8489 44.7456 142.6863 87.4988 156.2714 75.9496 81.2830 33.1941 0.7201 0.7498 0.7476 0.7474 0.7500 0.7430 0.7497 0.7335 0.7246 0.7473 0.7500 0.7384 0.7169 0.7499 0.7478 0.7496 0.7345 0.7495 0.5116 0.3969 0.1160 0.7500 0.0810 0.7016 0.2797 0.7394 0.3411 0.6073 0.7441 0.3580 0.4286 0.7333 0.4376 0.7499 0.2786 0.6248 0.6212 0.4402 0.3163 0.2181 0.5945 0.7318 0.1674 0.3664 0.3688 0.3339 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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 6 6 8 6 6 6 6 6 6 6 1 6 6 7 7 6 7 6 8 6 1 16 6 6 8 7 6 6 6 8 8 6 6 6 6 6 6 9 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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
21419.6764 38054.9560 49231.0291 0.99984 -0.01803 -0.00196 0.01807 0.99945 0.02782 0.00146 -0.02785 0.99961 1 0.00404 0.00228 0.00176 0.08426 0.04742 0.03666 9.18 16.85 19.54 28.12 30.98 35.26 47.10 61.29 64.29 73.95 85.39 91.67 107.54 129.99 138.49 161.47 182.81 196.10 205.18 223.32 238.02 269.73 275.33 308.64 327.96 354.64 363.26 388.77 400.71 432.67 442.65 492.53 529.15 548.75 582.02 618.30 651.80 665.63 668.72 684.38 691.08 701.29 726.04 760.68 782.32 796.23 825.31 872.04 884.42 903.62 918.57 919.39 949.59 964.70 1002.64 1002.76 1017.52 1069.08 1099.96 1118.56 1136.05 1163.75 1170.76 1174.91 1240.55 1271.30 1281.50 1292.00 1294.61 1319.08 1337.28 1339.48 1355.85 1373.00 1379.14 1395.88 1460.43 1464.53 1506.75 1511.59 1529.54 1544.54 1546.81 1548.40 1568.98 1595.32 1598.54 1600.31 1602.66 1613.01 1642.85 1683.99 1684.82 1692.77 1710.79 1717.70 1730.77 1795.49 1835.46 1845.91 1860.23 1864.23 1871.24 1877.20 1878.89 1887.23 1889.34 1915.19 1936.14 1957.27 1989.10 2003.06 2004.71 2016.83 2032.60 2041.44 2061.60 2078.51 2085.12 2092.81 2101.09 2143.41 2170.20 2178.60 2204.14 2223.22 2223.27 2257.81 2279.60 2293.30 2305.09 2321.00 2331.68 2344.31 2350.96 2367.35 2387.01 2415.29 2437.11 2447.32 2461.45 2470.72 2561.19 2568.05 2618.10 2624.44 2735.18 2750.93 2759.17 2879.30 4563.41 4603.39 4607.86 4626.62 4634.35 4639.20 4666.48 4701.73 4709.27 4720.14 4732.05 4739.77 4753.08 4755.05 4777.74 4831.61 4849.98 4866.68 4881.48 4889.46 4896.77 4901.97 4913.66 5578.40 0.498944 0.530824 0.531768 0.425645 -2049.287864 -2049.255985 -2049.255041 -2049.361164 3.559383D-04
MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCOc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)NCCC(=O)[O-])c4ccc(cc4)F C28157362 RHF 6-31G(d) (6D,10F) C1 511.145145 |X|Y|Z| 132.747191 94.066210 53.992203
87.685950 22 6 7 16 18 3 1
|36.858105| |12.572534|36.858105| |8.083532|13.556672|73.516695| |5.230769|7.980590|25.100104|36.858105| |4.089285|5.249498|14.569826|13.691886|36.858105| |3.201427|3.982421|9.415721|7.936584|13.825111|36.858105| |2.968259|3.770753|8.169252|6.805801|7.893649|13.691360|36.858105| |3.337858|4.501617|9.237837|7.938236|6.911485|8.009498|13.772237|36.858105| |4.398924|6.694566|13.978875|13.742924|7.946983|6.895503|7.876969|13.719331|36.858105| |2.401825|2.909409|5.982266|4.414250|5.017723|7.560684|12.555347|7.508083|4.988327|36.858105| |2.266073|2.680768|5.567064|3.986666|4.784614|7.291219|8.939095|5.635839|4.200166|17.649526|0.500000| |2.206420|2.630261|5.280797|3.728838|4.078346|5.457659|7.431738|5.796997|4.204155|12.316853|0.241656|36.858105| |2.057349|2.445870|4.716689|3.239221|3.330241|4.120635|5.589572|5.189806|3.819127|8.003212|0.166671|12.583137|36.858105| |2.066095|2.466225|4.713461|3.241732|3.290484|4.051932|5.626293|5.392348|3.894693|8.040113|0.169068|8.211683|15.119861|53.358707| |2.226761|2.681676|5.270024|3.737487|3.931779|5.150540|7.658539|6.475747|4.429745|13.000165|0.254365|8.232700|8.873643|18.941639|53.358707| |2.158357|2.568212|4.987185|3.445328|3.596055|4.485671|5.925340|5.323290|3.984087|7.647263|0.194418|5.275800|5.608308|11.005637|19.395689|36.858105| |2.223582|2.622311|5.192481|3.572221|3.866424|4.834692|5.800441|4.939383|3.915475|6.700115|0.196538|4.484397|4.318865|7.346703|11.383104|14.834204|53.358707| |2.068251|2.388150|4.609522|3.035647|3.194187|3.711398|4.176910|3.845260|3.277104|4.520678|0.131261|3.412720|3.412797|5.695271|7.473933|8.644057|18.812639|36.858105| |2.033470|2.305220|4.459664|2.867005|3.048516|3.433817|3.632734|3.341465|2.982050|3.768123|0.112214|2.930829|2.860634|4.557268|5.726418|5.711011|11.386893|15.982010|73.516695| |1.900056|2.182746|4.089324|2.645012|2.685790|3.043261|3.509134|3.420856|2.935222|3.851589|0.106322|3.124525|3.339711|5.751534|6.807039|7.628017|10.571111|12.391483|14.221622|36.858105| |1.722283|1.949401|3.651019|2.330110|2.391440|2.701197|3.043710|2.920705|2.539586|3.401990|0.096226|2.856120|3.047968|5.105949|5.809736|5.961746|8.299358|8.901856|12.466242|17.637286|0.500000| |1.922739|2.245815|4.192964|2.766847|2.773154|3.216074|3.971737|3.952500|3.205594|4.650706|0.119805|3.880490|4.546386|8.820240|9.647985|10.808740|9.802115|7.113117|8.846263|10.488272|0.221978|388.023441| |1.933209|2.206158|4.032615|2.546604|2.508455|2.723961|3.074477|3.146150|2.828749|3.168419|0.085840|2.644457|2.821023|4.688668|5.293556|5.216546|7.288723|7.528807|11.421276|12.497659|0.247455|48.332973|36.858105| |1.738194|1.960602|3.524621|2.191129|2.137635|2.298495|2.590501|2.686585|2.441249|2.699212|0.072464|2.361785|2.587727|4.248089|4.488090|4.114119|5.367718|4.893719|7.716807|7.537838|0.193747|41.444480|12.476430|36.858105| |1.625377|1.831055|3.305865|2.063416|2.028685|2.207671|2.509045|2.574324|2.303671|2.692745|0.072241|2.407653|2.698043|4.460868|4.554783|4.108781|5.128279|4.474442|6.887933|6.976143|0.199355|44.921103|8.010364|15.761987|73.516695| |1.707112|1.903439|3.367966|2.053796|1.978955|2.081206|2.304880|2.424812|2.269853|2.340855|0.062785|2.076420|2.249942|3.590277|3.756189|3.292222|4.382191|3.857766|6.436568|5.104519|0.133307|30.100828|7.896019|14.297758|15.037782|53.358707| |1.549585|1.708519|2.997377|1.807473|1.737550|1.816006|1.999138|2.106731|1.989176|2.037005|0.054566|1.854874|2.023184|3.168764|3.222797|2.720299|3.568908|3.011045|5.065083|3.800432|0.103485|24.443813|4.977207|7.661936|11.795339|17.629045|36.858105| |1.541989|1.680452|2.911694|1.727886|1.646940|1.692625|1.837557|1.951262|1.884662|1.836375|0.049217|1.678660|1.806342|2.777905|2.835956|2.347498|3.129248|2.598090|4.476826|3.086030|0.082962|19.953842|3.962882|5.114145|7.823392|10.609791|12.530790|36.858105| |1.395426|1.506105|2.601098|1.532581|1.462851|1.499391|1.619500|1.714831|1.662800|1.624455|0.043576|1.510588|1.627813|2.467428|2.482040|2.011787|2.664888|2.165165|3.735487|2.520414|0.068878|16.861340|3.038718|3.775125|6.255884|6.713047|7.367168|12.218749|36.858105| |1.323662|1.431551|2.485225|1.471685|1.412007|1.457915|1.581534|1.665809|1.600031|1.605386|0.043072|1.505988|1.636322|2.479763|2.465865|1.990248|2.608091|2.107004|3.602322|2.479971|0.068768|16.918408|2.907268|3.688944|6.447960|6.199687|6.984865|8.047275|15.461325|73.516695| |1.372929|1.468304|2.519794|1.470067|1.398610|1.420629|1.521292|1.613871|1.583810|1.511792|0.040603|1.408750|1.505146|2.259248|2.279808|1.831244|2.445158|1.970595|3.434353|2.236284|0.060812|14.964873|2.665385|3.147416|5.179698|5.413037|5.183217|8.114947|15.480599|15.149183|73.516695| |1.877594|2.193986|4.134535|2.737185|2.755540|3.225011|4.032912|3.973523|3.177742|4.989016|0.115469|7.184532|12.912374|10.838923|7.278891|4.032329|4.452697|2.752272|4.213808|2.779747|0.072124|26.148071|2.428608|2.310191|4.336238|2.783269|1.885100|1.693163|1.551307|2.794873|2.555815|36.858105| |1.748476|2.025200|3.733897|2.421720|2.391155|2.720165|3.331383|3.411659|2.820556|3.937284|0.094134|4.871902|7.639470|9.096177|6.164537|3.711746|4.078316|2.620718|4.012340|2.760942|0.072228|26.515285|2.450698|2.406820|4.606118|2.903516|1.996760|1.779598|1.642296|2.987661|2.689005|13.634173|36.858105| |1.605358|1.830929|3.340340|2.119205|2.084294|2.316327|2.731558|2.808402|2.421000|3.104276|0.076602|3.761890|5.062740|6.132160|4.646735|2.929309|3.352786|2.209296|3.456088|2.328571|0.061811|21.254017|2.114812|2.112004|4.039937|2.597223|1.821412|1.641150|1.538819|2.814381|2.532870|7.893401|13.817035|36.858105| |1.571197|1.778018|3.258981|2.052568|2.033577|2.246437|2.591335|2.628604|2.303341|2.907212|0.072622|3.627356|4.499475|5.173106|4.127203|2.589176|3.043283|1.998454|3.170673|2.059376|0.054862|18.129598|1.877497|1.855259|3.503493|2.303877|1.616224|1.474251|1.388168|2.527258|2.304145|6.905899|8.018607|13.784343|36.858105| |1.657861|1.882340|3.501266|2.223782|2.232661|2.492105|2.863999|2.843639|2.473290|3.236885|0.080617|4.289975|5.055165|5.394879|4.384640|2.675392|3.172840|2.045755|3.253917|2.058615|0.054607|17.925034|1.860774|1.804303|3.370108|2.236296|1.551754|1.421029|1.329642|2.403587|2.215134|7.884582|6.859730|7.895453|13.857511|36.858105| |1.817745|2.096712|3.965081|2.583397|2.624852|3.020532|3.585647|3.480897|2.907474|4.226875|0.102044|6.236999|7.649562|7.124392|5.603352|3.238797|3.772774|2.362999|3.710182|2.343531|0.061498|20.804878|2.080793|1.981158|3.684659|2.426593|1.658274|1.510005|1.396355|2.511864|2.319860|13.715582|7.944042|6.872871|8.028490|13.740304|36.858105| |1.445594|1.614629|2.935274|1.818571|1.796525|1.952620|2.203225|2.242304|2.014000|2.418771|0.061519|2.907927|3.424726|4.105290|3.410694|2.201483|2.637503|1.761363|2.828656|1.819874|0.048853|15.620492|1.681783|1.678153|3.165441|2.108250|1.496534|1.375520|1.309073|2.390466|2.182064|4.660920|5.315031|8.161299|14.337688|8.178695|5.314327|97.533100| |17.578045|8.865324|12.947878|4.894879|4.036091|3.155040|2.870833|3.144591|4.023391|2.339014|0.062213|2.117236|1.967095|2.710979|2.957112|2.137809|3.049833|2.106377|3.736211|1.915700|0.048320|13.520563|1.957413|1.746541|2.885826|2.340902|1.553941|1.551032|1.398538|2.350049|2.450911|1.783415|1.663338|1.524342|1.487679|1.566962|1.719971|3.081910|0.500000| |17.572492|8.861549|12.956275|4.863341|3.987121|3.121144|2.849430|3.131097|4.015630|2.326279|0.061248|2.173813|2.006217|2.703020|2.894699|2.037232|2.847126|1.932695|3.375534|1.774593|0.045014|12.857043|1.784440|1.613085|2.705066|2.146551|1.439717|1.427125|1.300137|2.204649|2.272200|1.844741|1.706742|1.576432|1.558773|1.656908|1.810771|3.236693|0.300914|0.500000| |17.552090|8.873170|10.251258|4.237563|3.386794|2.774586|2.646638|3.004002|3.844476|2.191394|0.057273|2.034756|1.931603|2.649920|2.817593|2.016858|2.801775|1.937545|3.381954|1.809024|0.045674|13.039515|1.861608|1.694707|2.815914|2.288061|1.538601|1.544708|1.405094|2.363062|2.471353|1.784741|1.682431|1.556363|1.520302|1.590176|1.726170|3.166851|0.300398|0.300336|0.500000| |8.847020|17.549653|16.536390|7.146487|4.834708|3.847979|3.773874|4.629323|6.809192|2.933443|0.074854|2.600795|2.465954|3.461805|3.787723|2.723455|3.795047|2.574331|4.414898|2.364794|0.058056|17.130261|2.436277|2.150208|3.525237|2.859542|1.869683|1.846832|1.638919|2.749973|2.840517|2.197808|2.053774|1.846241|1.769748|1.852889|2.064567|3.610754|0.212227|0.173375|0.212462|0.500000| |8.851471|17.538718|16.526304|7.039828|4.745876|3.783741|3.723197|4.584161|6.767085|2.906993|0.073154|2.706615|2.543594|3.444440|3.657957|2.523451|3.423159|2.274465|3.850121|2.113234|0.052559|15.835433|2.124594|1.914752|3.210008|2.525357|1.680050|1.647632|1.486690|2.524964|2.572668|2.315253|2.136936|1.940918|1.892940|2.006605|2.226817|3.866652|0.173449|0.212100|0.212750|0.301063|0.500000| |4.114784|4.866606|13.477885|8.957698|17.735933|8.897239|5.617867|4.973610|5.664446|4.088097|0.113380|3.457471|2.857104|3.826908|4.485287|3.084744|4.580156|2.874029|5.012687|2.421587|0.060830|17.397789|2.279298|1.957041|3.301631|2.487598|1.615333|1.542004|1.377023|2.360620|2.352334|2.424622|2.125755|1.882136|1.851899|2.030369|2.347707|3.723731|0.116574|0.114667|0.093209|0.121565|0.119276|0.500000| |2.811903|3.331878|7.621042|5.654203|8.985020|17.700684|8.902038|5.673169|4.962678|7.026725|0.222420|5.238540|3.862430|5.118193|6.480083|4.227694|6.394390|3.633830|6.097604|2.935996|0.073916|21.650493|2.585148|2.188688|3.765116|2.689225|1.730599|1.609180|1.431438|2.483144|2.410463|3.055151|2.573487|2.209271|2.159544|2.407636|2.905227|4.243772|0.078128|0.077165|0.068354|0.089408|0.087906|0.215473|0.500000| |2.984795|3.911233|7.462167|5.662201|4.971925|5.668847|8.922205|17.713359|8.972392|6.930747|0.141688|5.800312|5.953437|8.891579|9.746968|5.738429|6.617214|3.860583|5.805422|3.627638|0.085283|31.909455|3.342473|2.908003|5.005686|3.542154|2.265921|2.076870|1.823054|3.163195|3.028568|4.538756|3.982934|3.188208|2.899870|3.074982|3.776390|5.493353|0.077829|0.077599|0.076830|0.114338|0.113583|0.107876|0.124283|0.500000| |4.670442|7.404359|12.465015|8.868357|5.636835|4.967734|5.640443|8.958203|17.763592|4.085318|0.096823|3.617523|3.470833|4.859263|5.266070|3.563371|4.678878|2.992988|4.860394|2.778421|0.066936|21.650002|2.757749|2.428611|4.058456|3.123555|2.028621|1.941650|1.717194|2.926001|2.919413|3.004610|2.747659|2.391513|2.263313|2.389755|2.748111|4.492497|0.114595|0.114986|0.117912|0.224382|0.227396|0.124184|0.107758|0.218572|0.500000| |2.361153|2.834328|5.732365|4.066072|4.399997|5.681868|7.340940|6.061735|4.557544|8.687955|0.183476|17.610853|8.763409|8.335501|8.233997|4.286806|5.172940|2.991946|4.678019|2.746512|0.069715|23.526364|2.402019|2.160327|3.877550|2.630981|1.739695|1.594457|1.442285|2.547307|2.407361|6.455447|4.457586|3.604446|3.608269|4.406294|6.346651|6.571368|0.062134|0.065343|0.060179|0.076267|0.082406|0.102893|0.146087|0.161784|0.108227|0.500000| |2.006860|2.337585|4.689099|3.209811|3.590205|4.700875|5.640277|4.439210|3.461208|8.660947|0.224123|17.542019|8.885800|8.697665|8.720984|4.586635|5.525685|3.174198|4.935064|2.902313|0.075633|24.892096|2.441336|2.198949|4.017934|2.635492|1.742243|1.576785|1.427920|2.540954|2.369314|6.337299|4.439296|3.569303|3.537056|4.258178|6.046335|6.456811|0.053906|0.055338|0.051521|0.063926|0.066324|0.087907|0.135130|0.121546|0.084066|0.301682|0.500000| |1.891096|2.127221|3.900746|2.428219|2.415633|2.590929|2.831274|2.852772|2.625314|2.878612|0.079742|2.406813|2.504055|4.041924|4.598335|4.386081|6.568517|7.048908|12.679384|8.957865|0.214282|36.254358|17.558287|8.841378|10.935318|9.658483|4.636369|3.876709|2.970974|4.981031|4.700189|2.171730|2.170523|1.898562|1.709123|1.703868|1.894999|3.471861|0.053799|0.048471|0.050535|0.065166|0.056288|0.061927|0.069149|0.081927|0.070801|0.061251|0.062499|0.500000| |2.145343|2.484582|4.497477|2.851757|2.742833|2.936788|3.349680|3.555447|3.230648|3.320094|0.087888|2.742485|2.916533|4.842748|5.506051|5.297036|7.325856|6.834455|10.355035|8.826548|0.173961|45.277482|17.538607|8.874519|11.038006|9.612591|4.643749|3.915504|2.995093|5.006061|4.745458|2.496631|2.504918|2.153836|1.914749|1.903926|2.137121|3.848809|0.060200|0.054399|0.057433|0.077630|0.066239|0.068414|0.075648|0.105664|0.088523|0.070047|0.069041|0.302917|0.500000| |1.794271|1.994467|3.513629|2.126346|2.038183|2.117883|2.319110|2.451218|2.333038|2.308722|0.062083|2.028999|2.163778|3.420546|3.638200|3.178418|4.349030|3.849158|6.624085|4.777655|0.121611|27.423820|7.632390|9.511589|10.876647|26.075415|8.999856|7.632872|4.710141|7.326692|7.106469|1.956019|2.014815|1.804745|1.616196|1.580983|1.718933|3.331243|0.050544|0.045732|0.049138|0.061718|0.053516|0.052457|0.055658|0.072157|0.065712|0.052853|0.052433|0.211593|0.207742|0.500000| |1.545158|1.712342|2.994261|1.812375|1.733898|1.818059|2.023053|2.149439|2.016507|2.073178|0.054978|1.910719|2.118258|3.327061|3.310867|2.755922|3.522793|2.895603|4.764338|3.673971|0.099177|25.320029|4.573433|6.935088|12.041699|12.406262|17.642522|8.844913|6.718324|12.615095|8.516595|1.994940|2.147126|1.963393|1.724040|1.638684|1.743607|3.592327|0.042713|0.039972|0.042699|0.051903|0.047201|0.044554|0.047940|0.065119|0.057450|0.049783|0.049680|0.113023|0.121579|0.185709|0.500000| |1.441802|1.580042|2.792198|1.682668|1.635171|1.716888|1.877757|1.949786|1.834139|1.934777|0.052343|1.770904|1.925093|2.997363|3.046061|2.567900|3.390580|2.876038|4.892085|3.618284|0.102936|22.960862|4.502952|6.717185|11.417024|12.359575|17.625012|8.845788|6.723518|12.613590|8.524868|1.800852|1.906864|1.749010|1.557318|1.494732|1.591855|3.256962|0.040251|0.037426|0.039659|0.047626|0.043134|0.042459|0.045879|0.057848|0.051522|0.045983|0.046662|0.120390|0.111816|0.189397|0.304455|0.500000| |1.530749|1.656707|2.881411|1.701837|1.631113|1.670445|1.793640|1.888475|1.834410|1.785335|0.048267|1.621139|1.722663|2.637398|2.729179|2.270479|3.087807|2.597784|4.581324|3.024303|0.081941|18.870815|3.907863|4.772947|7.137311|9.656143|8.836555|17.480681|8.830166|11.020728|12.993350|1.605188|1.669068|1.538115|1.392381|1.351762|1.439819|2.923977|0.043098|0.039323|0.042512|0.050580|0.044763|0.042681|0.044315|0.055154|0.052182|0.042798|0.042466|0.111692|0.106041|0.215863|0.173258|0.210809|0.500000| |1.656263|1.811336|3.105222|1.836511|1.729109|1.763248|1.919153|2.068438|2.017138|1.892545|0.050313|1.726598|1.857345|2.854375|2.915201|2.397601|3.186668|2.611941|4.475005|3.056547|0.080001|20.120615|3.953290|4.849749|7.284422|9.678463|8.844776|17.489064|8.826035|11.030789|12.968438|1.738542|1.823726|1.678454|1.508153|1.455796|1.549551|3.160304|0.046163|0.042310|0.046326|0.055800|0.049367|0.044810|0.046165|0.061360|0.058380|0.045818|0.044709|0.105699|0.114255|0.210339|0.211013|0.173335|0.303618|0.500000| |1.756436|2.040266|3.740442|2.428903|2.382423|2.707844|3.350613|3.479214|2.858571|3.958382|0.094670|4.531218|7.078477|10.210862|6.669899|4.154837|4.426184|2.877441|4.336622|3.131481|0.081437|31.733274|2.767878|2.752844|5.352061|3.273839|2.243879|1.969615|1.805236|3.296107|2.928634|8.909704|17.752960|8.952391|5.683010|4.947884|5.654407|9.616645|0.046625|0.047195|0.047072|0.058251|0.059369|0.058656|0.070810|0.115503|0.077863|0.112319|0.113102|0.066891|0.078364|0.062388|0.067729|0.059264|0.050925|0.056019|0.500000| |1.519122|1.720270|3.107636|1.949972|1.906063|2.093368|2.440910|2.532157|2.219764|2.729085|0.068225|3.164972|4.108423|5.293498|4.137325|2.701802|3.117666|2.096933|3.296362|2.247954|0.060080|20.329943|2.069753|2.107980|4.066906|2.609863|1.856344|1.670807|1.580607|2.912787|2.595517|5.611473|8.880652|17.744808|8.947212|5.643642|4.954384|16.703408|0.040157|0.041306|0.041181|0.048471|0.050531|0.048099|0.055508|0.079749|0.061599|0.084200|0.083751|0.051594|0.058315|0.050071|0.056096|0.049604|0.043239|0.047356|0.213774|0.500000| |1.600205|1.797726|3.346137|2.099790|2.117711|2.335343|2.613851|2.579259|2.292824|2.893232|0.073424|3.753294|4.103985|4.503483|3.823959|2.372727|2.874245|1.866048|3.003717|1.861981|0.049606|15.814086|1.695052|1.641880|3.049280|2.050887|1.427894|1.317385|1.238062|2.234512|2.072805|5.609176|4.947508|5.639997|8.968385|17.744615|8.846710|16.720507|0.041991|0.044774|0.042649|0.048761|0.053268|0.054126|0.063188|0.075830|0.061554|0.109878|0.105892|0.043508|0.048146|0.040459|0.041689|0.038305|0.034947|0.037467|0.107478|0.124578|0.500000| |1.884820|2.172328|4.178226|2.737286|2.839430|3.302733|3.841166|3.599730|3.017284|4.508205|0.110103|7.087912|7.035960|6.544197|5.537408|3.177842|3.793729|2.349193|3.721288|2.274664|0.059638|19.672315|2.016166|1.893804|3.485953|2.326131|1.581033|1.447871|1.335871|2.391192|2.228506|8.891571|5.639036|4.953274|5.701271|8.977145|17.733091|9.639140|0.049551|0.052580|0.049288|0.058719|0.063937|0.070734|0.089272|0.104292|0.077705|0.218318|0.200872|0.051480|0.057618|0.046109|0.045786|0.042204|0.038597|0.041287|0.124056|0.107573|0.214710|0.500000|
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