Version2.1 2020-12-19T10:04:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CCC[C@@H]3N=N[C@@H](S3)C(=O)Nc4ccccc4C C64538908 RHF 6-31G(d) (6D,7F) Cc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CCC[C@@H]3N=N[C@@H](S3)C(=O)Nc4ccccc4C C01[X(C25H30N5O2S1)] 183 C1 559 O=C(NCCC1=c2cc(C)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@@H](S1)C(=O)Nc1ccccc1C O=C(NCCC1=c2cc(C)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@@H](S1)C(=O)Nc1ccccc1C CC1=CC2=C(CCNC(=O)CCC[C@H]3S[C@H](N=N3)C(=O)Nc4ccccc4C)C[NH+]=C2C=C1 InChIKey=XFQRWCJYJUDPLD-NOZRDPDXSA-O InChI=1S/C25H29N5O2S/c1-16-10-11-21-19(14-16)18(15-27-21)12-13-26-22(31)8-5-9-23-29-30-25(33-23)24(32)28-20-7-4-3-6-17(20)2/h3-4,6-7,10-11,14,23,25H,5,8-9,12-13,15H2,1-2H3,(H,26,31)(H,28,32)/p+1/t23-,25+/m1/s1 InChI=1/C25H29N5O2S/c1-16-10-11-21-19(14-16)18(15-27-21)12-13-26-22(31)8-5-9-23-29-30-25(33-23)24(32)28-20-7-4-3-6-17(20)2/h3-4,6-7,10-11,14,23,25H,5,8-9,12-13,15H2,1-2H3,(H,26,31)(H,28,32)/p+1/t23-,25+/m1/s1/fC25H30N5O2S/h26-28H/q+1 Cc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CCC[C@@H]3N=N[C@@H](S3)C(=O)Nc4ccccc4C C01[X(C25H30N5O2S1)] 183 C01 559 O=C(NCCC1=c2cc(C)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@@H](S1)C(=O)Nc1ccccc1C O=C(NCCC1=[C]2[CH]=[C]([CH]=[CH][C]2[NH]C1)C)CCC[C@@H]1N=N[C@@H](S1)C(=O)N[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1NC(=O)[C@@H]2S[C@H](CCCC(=O)NCCC3=C4C=C(C)C=C[C]4NC3)N=N2 InChIKey=GYTAUGCOTJLFHE-NOZRDPDXSA-N InChI=1S/C25H30N5O2S/c1-16-10-11-21-19(14-16)18(15-27-21)12-13-26-22(31)8-5-9-23-29-30-25(33-23)24(32)28-20-7-4-3-6-17(20)2/h3-4,6-7,10-11,14,23,25,27H,5,8-9,12-13,15H2,1-2H3,(H,26,31)(H,28,32)/t23-,25+/m1/s1 InChI=1/C25H30N5O2S/c1-16-10-11-21-19(14-16)18(15-27-21)12-13-26-22(31)8-5-9-23-29-30-25(33-23)24(32)28-20-7-4-3-6-17(20)2/h3-4,6-7,10-11,14,23,25,27H,5,8-9,12-13,15H2,1-2H3,(H,26,31)(H,28,32)/t23-,25+/m1/s1/f/h26,28H 3134.1866456375 -1783.4583482 1-A 38125.9722 123 436 559 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.01095 -20.63656 -20.58941 -15.76820 -15.71313 -15.71148 -15.69933 -15.65336 -11.47607 -11.45648 -11.43953 -11.42098 -11.41977 -11.41238 -11.39723 -11.39366 -11.38742 -11.38380 -11.38359 -11.37386 -11.36936 -11.36778 -11.33898 -11.33338 -11.32186 -11.31542 -11.31277 -11.28191 -11.27057 -11.26850 -11.26670 -11.26320 -11.26295 -9.02206 -6.70451 -6.70369 -6.70121 -1.50421 -1.48255 -1.47270 -1.45846 -1.35067 -1.31303 -1.30060 -1.25931 -1.19745 -1.19129 -1.18812 -1.17108 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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| 5.5970 6.6025 7.0479 11.2572 21.3933 23.5335 41.8298 61.1769 69.1341 74.1808 87.0945 93.8272 101.6458 108.6175 135.3581 144.1064 163.1272 165.1049 192.9115 197.1935 209.6427 210.5550 220.3076 235.8420 244.8141 279.8529 294.4253 309.8974 330.3070 337.1197 345.3913 348.5931 375.4223 409.0404 437.7543 452.3304 459.6055 472.7838 477.3890 494.3913 504.2006 528.1639 544.9981 551.1434 562.4511 571.4339 598.8340 605.3851 625.8464 637.6892 647.6169 655.7897 676.5210 683.0831 709.4753 729.4446 774.5920 787.2260 799.2169 799.9624 822.1302 828.4666 853.1468 856.9295 861.8744 890.9363 894.5550 916.0598 928.6160 950.8378 973.2392 984.3173 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0.02732 0.02649 8.05 9.50 10.14 16.20 30.78 33.86 60.18 88.02 99.47 106.73 125.31 135.00 146.25 156.28 194.75 207.34 234.70 237.55 277.56 283.72 301.63 302.94 316.97 339.32 352.23 402.65 423.61 445.87 475.24 485.04 496.94 501.55 540.15 588.52 629.83 650.80 661.27 680.23 686.86 711.32 725.43 759.91 784.13 792.97 809.24 822.17 861.59 871.01 900.45 917.49 931.78 943.54 973.36 982.80 1020.78 1049.51 1114.47 1132.64 1149.89 1150.97 1182.86 1191.98 1227.49 1232.93 1240.05 1281.86 1287.07 1318.01 1336.07 1368.04 1400.27 1416.21 1420.61 1423.66 1430.93 1452.97 1484.31 1537.84 1547.04 1559.34 1571.10 1575.23 1596.95 1601.11 1606.17 1613.37 1634.15 1639.08 1647.02 1662.07 1662.71 1682.86 1683.83 1703.49 1712.92 1745.69 1751.61 1789.28 1810.98 1827.89 1835.74 1856.75 1871.43 1876.52 1907.84 1919.07 1920.33 1927.17 1966.82 1987.45 1994.25 2008.38 2037.44 2045.67 2063.17 2069.62 2074.42 2092.80 2102.42 2103.97 2117.02 2133.23 2193.10 2215.97 2240.23 2245.68 2259.42 2266.41 2270.54 2273.69 2287.60 2322.47 2328.43 2335.34 2341.02 2347.50 2350.90 2355.86 2358.23 2366.29 2369.72 2390.26 2396.12 2448.85 2503.54 2506.20 2567.01 2584.45 2617.45 2681.09 2762.70 2807.75 2827.48 4589.54 4613.83 4621.88 4626.65 4642.50 4662.21 4668.79 4668.96 4681.86 4684.48 4686.00 4688.93 4689.50 4705.03 4724.22 4740.31 4749.62 4754.87 4765.58 4771.69 4833.46 4850.61 4861.95 4876.15 4886.66 4901.19 4971.29 5572.00 5588.23 5599.80 0.562768 0.592925 0.593869 0.492110 -1782.895580 -1782.865423 -1782.864479 -1782.966239 3.413047D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE Cc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CCC[C@@H]3N=N[C@@H](S3)C(=O)Nc4ccccc4C C64538908 RHF 6-31G(d) (6D,10F) C1 464.212022 |X|Y|Z| 185.386769 36.161118 49.493055 69.229036 29 6 7 16 23 5 1 |36.858105| |12.634451|36.858105| |7.496271|13.072256|36.858105| |4.988942|7.651304|14.093351|36.858105| |4.405124|6.752779|8.077429|13.425416|36.858105| |3.388714|4.630122|5.263233|7.715681|14.532764|53.358707| |3.007173|3.930855|4.643850|6.808594|9.284888|26.015295|0.500000| |3.107996|4.083721|4.154815|5.192637|8.369962|17.890949|0.243819|36.858105| |3.760027|5.116220|4.656893|5.292147|8.428137|11.262058|0.161817|12.706201|36.858105| |4.976040|7.901376|6.902782|7.665971|13.212006|11.496909|0.164456|8.204549|14.044044|36.858105| |7.590512|14.188150|7.904575|6.626011|7.641489|7.203372|0.117614|5.074295|7.420803|13.187969|36.858105| |3.334667|4.137268|3.594964|3.801355|5.104732|6.921769|0.113249|7.254675|12.723981|7.397205|5.807658|36.858105| |2.921192|3.473523|3.084534|3.243953|4.130782|5.748881|0.098840|5.703442|7.479567|5.339612|4.526751|12.221358|36.858105| |2.409309|2.773943|2.530740|2.673785|3.291195|4.752087|0.085345|4.638396|5.229850|3.937743|3.422982|7.616241|13.201946|53.358707| |2.184827|2.528564|2.385086|2.584591|3.189541|4.845874|0.089186|4.837547|4.803351|3.606021|3.040187|6.073408|7.853043|19.185058|36.858105| |2.261892|2.677789|2.586151|2.888810|3.669410|5.902176|0.108660|6.324480|5.545336|4.010827|3.214136|6.225738|7.045956|11.666252|15.768701|73.516695| |1.871915|2.111323|2.006395|2.150338|2.555764|3.835629|0.072836|3.563566|3.494861|2.809851|2.461942|4.200903|5.028766|10.630548|12.585161|14.133586|36.858105| |1.733319|1.953408|1.888011|2.043070|2.408197|3.678154|0.071354|3.358606|3.146183|2.570972|2.241666|3.580962|3.873035|7.003834|7.532349|11.857911|12.456761|36.858105| |1.530790|1.694954|1.640715|1.755314|2.018202|3.026149|0.059429|2.646198|2.519584|2.136397|1.911255|2.825351|3.048372|5.272572|4.904599|7.788213|7.529720|12.459825|36.858105| |1.422875|1.570626|1.537101|1.649859|1.876085|2.823293|0.056269|2.414090|2.261009|1.950327|1.748490|2.459241|2.555098|4.176292|3.752563|6.405254|4.882648|7.477146|12.477696|36.858105| |1.414958|1.569318|1.551247|1.679329|1.908760|2.906976|0.058586|2.470240|2.261620|1.955595|1.738769|2.405768|2.496626|4.002667|3.642352|6.480374|4.529246|6.803127|8.860856|17.572113|0.500000| |1.291764|1.409515|1.378737|1.467045|1.643964|2.440421|0.048805|2.043444|1.940503|1.705935|1.553600|2.101628|2.196780|3.528223|3.025619|5.111604|3.835425|4.989463|7.812348|12.979545|0.258287|53.358707| |1.232280|1.337310|1.308471|1.386684|1.542717|2.275411|0.045580|1.885416|1.800645|1.598310|1.466211|1.941942|1.996113|3.149872|2.640043|4.496702|3.213231|4.031712|5.560475|8.334352|0.184052|21.506837|53.358707| |1.270329|1.381735|1.353022|1.436222|1.600452|2.364248|0.047348|1.960435|1.868365|1.656757|1.516213|2.009734|2.016562|3.151435|2.639570|4.562052|3.114628|3.981480|4.988783|7.480740|0.169450|11.362966|17.736476|36.858105| |1.225337|1.332834|1.314697|1.399947|1.551594|2.298916|0.046420|1.885181|1.779085|1.589302|1.452927|1.883889|1.878426|2.887714|2.414050|4.255128|2.774474|3.499970|4.165873|6.078796|0.156486|8.998504|12.624979|17.571491|0.500000| |1.442801|1.590060|1.553084|1.662266|1.886477|2.822950|0.056110|2.403335|2.269056|1.965828|1.769238|2.467811|2.450465|3.906509|3.397492|5.905126|4.056238|5.764268|6.760422|10.457821|0.218072|9.782600|9.798475|10.499747|0.218469|388.023441| |1.229819|1.325958|1.290658|1.357202|1.501745|2.188990|0.043633|1.801489|1.747904|1.564899|1.450717|1.891693|1.880928|2.910245|2.365137|4.046145|2.732034|3.293606|3.928970|4.954748|0.115603|7.434696|10.357859|12.436539|0.250579|48.706167|36.858105| |1.263160|1.361338|1.323352|1.389492|1.536670|2.233186|0.044426|1.834870|1.787537|1.603832|1.489527|1.933314|1.888422|2.892549|2.331072|4.015308|2.625399|3.131765|3.525862|4.251835|0.102006|5.839109|7.244073|8.106072|0.192063|45.021645|15.921646|73.516695| |1.153123|1.234682|1.199790|1.254812|1.379344|1.996631|0.039807|1.631491|1.594521|1.438652|1.344907|1.726427|1.736780|2.679379|2.145865|3.638704|2.484947|2.888492|3.495390|4.179177|0.099217|6.831497|9.564996|7.854413|0.179440|34.723552|14.140065|14.878216|53.358707| |1.097191|1.165790|1.129884|1.173793|1.281098|1.837747|0.036596|1.489316|1.469672|1.338626|1.263848|1.590144|1.593690|2.430060|1.909011|3.233116|2.168767|2.437820|2.845249|3.216429|0.078549|5.033010|6.331107|5.008011|0.124584|26.196326|7.659564|11.499437|18.279187|36.858105| |1.116749|1.182608|1.141905|1.181266|1.287079|1.835736|0.036435|1.485302|1.477691|1.350442|1.281868|1.603424|1.588785|2.405451|1.868397|3.164776|2.088033|2.318064|2.616948|2.881144|0.070781|4.262363|5.089565|4.215086|0.105913|24.312755|6.321383|11.594139|10.560944|13.724575|36.858105| |1.055641|1.110104|1.070851|1.101871|1.192242|1.688895|0.033532|1.355472|1.356208|1.250508|1.196723|1.466482|1.452626|2.176058|1.669100|2.830461|1.840866|2.001228|2.221217|2.390713|0.059824|3.511130|4.056188|3.234933|0.083701|19.496080|4.340648|7.985180|6.983852|7.939749|13.753135|36.858105| |0.989701|1.038045|1.003502|1.031774|1.112046|1.573986|0.031333|1.257301|1.255864|1.162566|1.114690|1.351922|1.349807|2.016594|1.544465|2.620841|1.705054|1.839706|2.054369|2.204119|0.055725|3.301127|3.794625|2.903256|0.076248|17.308919|3.693901|6.445355|6.182868|6.862644|7.932297|13.791909|36.858105| |0.976649|1.027315|0.995961|1.027459|1.108970|1.576399|0.031457|1.260741|1.251956|1.155878|1.103590|1.345140|1.354023|2.033024|1.568750|2.661771|1.750107|1.900101|2.162204|2.346891|0.059352|3.627606|4.240247|3.132854|0.082510|17.977734|3.922016|6.442619|7.060022|7.967352|6.899774|7.982213|13.756791|36.858105| |1.023016|1.082455|1.051001|1.089557|1.182482|1.691608|0.033777|1.361243|1.343526|1.231599|1.167548|1.445950|1.459949|2.212623|1.727979|2.929747|1.955205|2.161285|2.518217|2.801810|0.069947|4.473555|5.465509|3.988273|0.103416|21.490098|5.177555|7.901068|10.768396|13.610255|7.868750|6.832375|7.871671|13.737972|36.858105| |0.996068|1.055872|1.029127|1.070090|1.160867|1.666938|0.033406|1.339426|1.313260|1.203478|1.137181|1.406419|1.433526|2.175987|1.711001|2.907841|1.950279|2.161041|2.561344|2.879751|0.072848|4.810266|5.900530|3.959236|0.104864|20.909252|4.601028|6.732450|9.104949|7.486879|4.989848|4.429299|5.013735|7.581003|12.591695|36.858105| |17.552923|8.864113|6.728310|4.619141|3.977452|4.264130|0.078673|2.850331|3.343406|4.287724|5.918920|2.980376|2.590443|2.979417|2.013664|3.715471|1.745922|1.637666|1.454956|1.364430|0.037701|1.690230|1.620747|1.233026|0.033141|9.919300|1.198351|2.196669|1.528523|1.071680|1.094146|1.036772|0.971345|0.956132|0.999175|0.970715|0.500000| |17.552206|8.862893|6.725844|4.616737|3.975078|4.260980|0.078626|2.848960|3.342573|4.286741|5.917409|2.979516|2.714143|3.071523|2.054503|3.775909|1.773498|1.639332|1.456839|1.354510|0.037522|1.682146|1.602766|1.207347|0.032405|9.687073|1.166787|2.121286|1.495273|1.045962|1.061079|1.004880|0.945978|0.935804|0.979426|0.957058|0.302053|0.500000| |17.604501|8.862993|5.514026|4.115218|3.907210|4.239085|0.076402|2.980653|3.700183|4.673283|7.224085|3.457142|3.041432|3.410138|2.231546|4.038228|1.916533|1.759101|1.557123|1.438915|0.039497|1.781373|1.700050|1.286284|0.034312|10.385322|1.250864|2.285093|1.599631|1.120944|1.143807|1.082656|1.014008|0.998648|1.044515|1.014430|0.301673|0.301612|0.500000| |7.109973|8.781615|17.706312|9.125123|5.706174|5.722150|0.108605|3.400356|3.687619|4.967312|5.672529|2.993011|2.638874|3.020166|2.104158|4.022732|1.803550|1.708162|1.502939|1.417295|0.039767|1.743759|1.661284|1.260619|0.034138|10.186671|1.206461|2.198528|1.532386|1.064346|1.076117|1.013272|0.952164|0.944561|0.993626|0.973589|0.195058|0.194989|0.141656|0.500000| |4.082344|5.495870|8.961730|17.750687|8.744017|9.224687|0.192278|4.535989|4.291609|5.498599|4.825232|3.226046|2.834129|3.275858|2.371916|4.735216|2.007394|1.933104|1.674577|1.589843|0.045256|1.931015|1.828631|1.391068|0.037894|11.373787|1.311292|2.383477|1.651398|1.134741|1.139279|1.063616|0.998370|0.995935|1.056010|1.040015|0.109016|0.108951|0.095132|0.217792|0.500000| |2.790577|3.538898|3.594888|4.371632|6.294138|12.288092|0.205000|17.604226|8.838009|6.196201|4.276339|6.467678|6.078563|6.932761|5.575921|14.024002|3.980125|3.676445|2.850619|2.560118|0.073503|2.935034|2.671862|2.013454|0.053691|17.556180|1.827646|3.271005|2.260831|1.507210|1.490044|1.356310|1.263462|1.274895|1.382250|1.370219|0.070751|0.072710|0.074963|0.084044|0.110046|0.500000| |2.799707|3.552172|3.606493|4.384750|6.320889|12.327014|0.204821|17.564032|8.881998|6.227996|4.295551|6.490445|4.985326|6.031179|4.870955|11.551736|3.684097|3.641797|2.827411|2.619677|0.074572|2.970280|2.750533|2.133673|0.057083|18.994169|1.952079|3.561405|2.376272|1.584783|1.583685|1.436197|1.324357|1.326104|1.437366|1.409034|0.072992|0.070905|0.075211|0.084274|0.110276|0.303248|0.500000| |6.945629|9.044134|5.600620|4.824241|5.502333|5.844220|0.098202|4.433001|6.582964|8.730088|17.739818|6.166482|4.826606|4.928931|3.102710|5.638888|2.524562|2.265563|1.940224|1.760039|0.048164|2.135711|2.017271|1.530297|0.040490|12.682313|1.473672|2.691547|1.864923|1.291761|1.314471|1.229123|1.143354|1.129171|1.192382|1.157589|0.151463|0.151412|0.218569|0.124154|0.105373|0.107383|0.107845|0.500000| |2.913517|3.522045|3.165842|3.392734|4.448909|6.375727|0.107929|6.824209|9.062640|5.772495|4.631041|17.614394|8.804782|10.410045|6.811075|12.465916|4.706843|4.136131|3.165951|2.754321|0.074222|3.141518|2.903890|2.237760|0.057920|20.089028|2.100382|3.842652|2.574828|1.729838|1.748547|1.585112|1.449933|1.440594|1.556998|1.507100|0.074385|0.072534|0.083439|0.074704|0.082225|0.168866|0.196974|0.134045|0.500000| |3.689675|4.460841|3.652641|3.665865|4.658848|5.894328|0.098471|5.457284|8.986878|6.981756|6.480657|17.604072|8.726595|8.257175|4.759799|8.282603|3.598041|3.106424|2.545097|2.238072|0.060314|2.648518|2.474174|1.884940|0.049068|16.179897|1.802944|3.294582|2.253985|1.541746|1.567470|1.444306|1.330462|1.315790|1.404329|1.358122|0.090951|0.089511|0.110237|0.084854|0.085600|0.134175|0.139620|0.216941|0.303770|0.500000| |3.033941|3.495922|3.010645|3.053038|3.724032|4.945556|0.086301|4.510436|5.963873|4.849119|4.522577|8.775119|17.631156|12.648473|5.797547|9.053980|4.259565|3.319430|2.735713|2.308265|0.062250|2.760326|2.526777|1.865427|0.048260|15.774306|1.761932|3.143615|2.238362|1.523995|1.524425|1.404886|1.309908|1.310778|1.404063|1.376661|0.073767|0.078783|0.089953|0.072270|0.073921|0.129763|0.110633|0.141514|0.181261|0.230130|0.500000| |2.903033|3.508228|3.215149|3.465921|4.466587|6.382030|0.109847|6.301433|7.472703|5.484626|4.458498|8.713332|17.603914|12.540606|7.161878|12.905131|4.686038|3.695967|2.923730|2.476522|0.068499|2.905827|2.627864|1.936938|0.050569|16.592074|1.789160|3.174679|2.254398|1.516462|1.501733|1.374894|1.284885|1.295164|1.397608|1.382979|0.071138|0.076281|0.082069|0.076209|0.084618|0.206499|0.142697|0.124976|0.185680|0.179393|0.304121|0.500000| |2.269786|2.547522|2.307103|2.393993|2.861989|4.047159|0.073757|3.753590|4.245938|3.396674|3.087922|5.939115|9.008591|26.082405|9.342834|10.889849|7.402514|4.793723|3.844390|3.001332|0.078447|3.527830|3.156206|2.295975|0.057953|19.865411|2.145732|3.773654|2.719529|1.822618|1.805530|1.638152|1.520610|1.532326|1.663813|1.633492|0.057463|0.059346|0.066326|0.056891|0.060202|0.111983|0.100678|0.092520|0.165416|0.146951|0.233478|0.187759|0.500000| |1.842903|2.050526|1.922840|2.028217|2.382240|3.489087|0.065941|3.178256|3.249973|2.660033|2.390807|4.031879|4.783994|10.191653|8.894123|10.505500|17.544910|8.801461|6.923707|4.547608|0.111910|5.096515|4.356856|3.100294|0.075461|28.056721|2.804225|4.800891|3.509706|2.271447|2.202798|1.943601|1.793375|1.832014|2.040401|2.014956|0.047809|0.048397|0.052968|0.048198|0.052376|0.095385|0.090934|0.069321|0.125263|0.099855|0.118412|0.118038|0.231223|0.500000| |1.786704|2.003356|1.916102|2.051507|2.408360|3.604389|0.069208|3.259924|3.168827|2.610812|2.306949|3.674668|4.553691|8.923508|9.051069|11.755746|17.512439|8.813232|6.833153|4.531492|0.120572|5.089330|4.200479|2.892682|0.072420|25.397225|2.526844|4.255783|3.192829|2.055363|1.957595|1.739209|1.630875|1.687858|1.882929|1.906073|0.046178|0.047509|0.050672|0.048138|0.053560|0.103297|0.091209|0.065403|0.108816|0.088611|0.110670|0.124332|0.179314|0.303537|0.500000| |1.731102|1.966841|1.929886|2.118618|2.505423|3.917964|0.077161|3.572979|3.192865|2.612407|2.242136|3.472777|3.727550|6.363122|6.930002|12.793257|8.887574|17.576649|8.819384|6.844367|0.203630|6.305016|5.117204|3.716398|0.094477|37.027526|3.023029|5.120014|3.615689|2.250356|2.132075|1.854512|1.717240|1.779129|2.017099|2.037691|0.045454|0.045645|0.048338|0.048498|0.056165|0.111519|0.108222|0.061962|0.109503|0.082521|0.087769|0.103007|0.116700|0.173593|0.213014|0.500000| |1.791115|2.023719|1.949090|2.108085|2.497232|3.808660|0.073400|3.509203|3.310568|2.684447|2.334757|3.808658|3.879770|6.823254|6.942092|11.430286|8.885914|17.549054|8.835919|6.822558|0.167724|6.251192|5.360968|4.165180|0.101151|46.982719|3.516498|6.142513|4.070950|2.529654|2.449838|2.100353|1.902253|1.941287|2.202587|2.160037|0.047244|0.046644|0.050557|0.048839|0.055186|0.102964|0.109405|0.065670|0.128067|0.092121|0.091942|0.100071|0.128300|0.210114|0.173637|0.303918|0.500000| |1.515271|1.663685|1.594838|1.687960|1.930684|2.849315|0.055549|2.478634|2.424649|2.069457|1.878184|2.773661|2.987786|5.205701|4.560901|6.975381|6.880136|8.817637|17.549546|8.915792|0.174419|9.727533|7.527451|4.976433|0.111280|45.314027|4.188068|6.659601|5.163726|3.104202|2.868402|2.418355|2.221207|2.328826|2.717018|2.719267|0.040036|0.039986|0.043119|0.040648|0.044523|0.073027|0.073148|0.053544|0.086349|0.070708|0.075899|0.077881|0.109591|0.207858|0.168931|0.173070|0.211124|0.500000| |1.478061|1.631264|1.583954|1.693058|1.934088|2.893770|0.057120|2.500319|2.376589|2.035393|1.828454|2.634597|2.916090|4.991839|4.557630|7.253417|6.885515|8.827787|17.538773|8.977899|0.216396|9.951418|6.896678|4.257400|0.102555|36.171522|3.416843|5.404590|4.315688|2.625416|2.389924|2.061633|1.940314|2.062534|2.389180|2.486462|0.038919|0.039343|0.041707|0.040443|0.045026|0.075894|0.072770|0.051461|0.079886|0.066051|0.073489|0.079241|0.102080|0.172327|0.204944|0.210818|0.173283|0.302510|0.500000| |1.133019|1.213958|1.181764|1.237779|1.360463|1.973623|0.039426|1.612271|1.569963|1.415767|1.321407|1.696549|1.725894|2.672805|2.151069|3.640633|2.521561|2.930992|3.657130|4.419311|0.105114|7.905665|11.783825|7.725152|0.178481|33.382088|9.571981|10.896184|26.076367|9.241312|5.765882|4.282492|4.054203|4.864740|7.488052|7.847541|0.030576|0.030078|0.032043|0.030815|0.033292|0.045941|0.047681|0.037343|0.051352|0.045019|0.045403|0.045984|0.055450|0.072280|0.067126|0.075290|0.082204|0.109306|0.094429|0.500000| |1.180271|1.253501|1.208332|1.251259|1.368568|1.953870|0.038681|1.588030|1.581842|1.440013|1.363698|1.722638|1.690794|2.562980|1.994306|3.381689|2.218710|2.482613|2.762178|3.041555|0.074214|4.342870|5.123450|4.478057|0.110901|27.002808|6.934762|14.826399|9.645080|8.930761|17.819694|8.927033|5.653059|4.973906|5.623189|4.074367|0.032147|0.031029|0.033598|0.031547|0.033447|0.044035|0.047345|0.038872|0.052633|0.046793|0.044882|0.044158|0.053253|0.065125|0.057003|0.063042|0.074314|0.084306|0.068762|0.145133|0.500000| 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