Version2.0 2019-11-11T13:00:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)n1c(nnn1)[C@@H](c2cc3cc(ccc3[nH]c2=O)OC)[NH+](Cc4ccco4)Cc5cccs5 C06014932 RHF 6-31G(d) (6D,7F) CC(C)(C)n1c(nnn1)[C@@H](c2cc3cc(ccc3[nH]c2=O)OC)[NH+](Cc4ccco4)Cc5cccs5 C01[X(C26H29N6O3S1)] 189 C1 602 COc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1cccs1)Cc1ccco1 COc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1cccs1)Cc1ccco1 COc1ccc2NC(=O)C(=Cc2c1)[C@@H]([NH+](Cc3occc3)Cc4sccc4)c5nnnn5C(C)(C)C InChIKey=UBVSQSULGZWQBE-HSZRJFAPSA-O InChI=1S/C26H28N6O3S/c1-26(2,3)32-24(28-29-30-32)23(21-14-17-13-18(34-4)9-10-22(17)27-25(21)33)31(15-19-7-5-11-35-19)16-20-8-6-12-36-20/h5-14,23H,15-16H2,1-4H3,(H,27,33)/p+1/t23-/m1/s1 InChI=1/C26H28N6O3S/c1-26(2,3)32-24(28-29-30-32)23(21-14-17-13-18(34-4)9-10-22(17)27-25(21)33)31(15-19-7-5-11-35-19)16-20-8-6-12-36-20/h5-14,23H,15-16H2,1-4H3,(H,27,33)/p+1/t23-/m1/s1/fC26H29N6O3S/h27,31H/q+1 CC(C)(C)n1c(nnn1)[C@@H](c2cc3cc(ccc3[nH]c2=O)OC)[NH+](Cc4ccco4)Cc5cccs5 C01[X(C26H29N6O3S1)] 189 C01 602 COc1ccc2c(c1)cc(c(=O)[nH]2)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1cccs1)Cc1ccco1 COc1ccc2c(c1)C=C([C@H](N2)O)[C@H]([C@H]1NNNN1C(C)(C)C)[NH](Cc1cccs1)Cc1ccco1 COc1ccc2N[C@H](O)C(=Cc2c1)[C@H]([C@H]3NNNN3C(C)(C)C)[NH](Cc4occc4)Cc5sccc5 InChIKey=BYEHYVAMDCCHJB-DSNGMDLFSA-N InChI=1S/C26H35N6O3S/c1-26(2,3)32-24(28-29-30-32)23(21-14-17-13-18(34-4)9-10-22(17)27-25(21)33)31(15-19-7-5-11-35-19)16-20-8-6-12-36-20/h5-14,23-25,27-31,33H,15-16H2,1-4H3/t23-,24+,25-/m1/s1 InChI=1/C26H35N6O3S/c1-26(2,3)32-24(28-29-30-32)23(21-14-17-13-18(34-4)9-10-22(17)27-25(21)33)31(15-19-7-5-11-35-19)16-20-8-6-12-36-20/h5-14,23-25,27-31,33H,15-16H2,1-4H3/t23-,24+,25-/m1/s1 4212.1174813934 -1949.9622396 1-A 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2.3024 2.2316 0.7750 1.8594 2.0779 3.5234 0.8108 0.8657 0.9802 1.0328 1.0199 1.0189 1.6577 1.0456 2.4590 0.9117 0.8073 0.9506 1.3793 1.0422 1.2352 1.7800 3.1531 3.3356 1.3774 1.5304 1.0965 2.7575 2.2710 1.8196 1.2129 4.4748 3.1453 2.1432 1.4195 2.1349 3.9537 1.2411 5.4201 1.7340 1.9149 2.6474 1.9444 2.1622 2.9698 2.3392 1.9307 2.2314 1.9501 4.1639 1.8911 2.3291 1.9215 3.1112 2.0909 1.8218 2.6439 3.0854 1.9288 1.8909 3.2028 1.8506 3.3073 13.8343 1.8273 2.8254 6.7277 3.0627 1.6824 1.7423 2.8341 1.6946 2.3792 1.8077 1.8430 1.7196 1.6833 1.7152 1.7142 1.7724 1.9375 4.8911 6.8083 18.1111 9.4094 10.6327 11.7485 11.6410 12.8212 12.0137 6.3077 6.3408 6.3656 6.4297 7.0478 7.0251 7.0549 7.0843 7.0984 7.1357 6.9110 6.9129 7.2373 7.2853 7.2558 7.3420 7.4655 7.3795 7.4074 7.4198 7.5191 7.5252 7.5351 7.6593 7.7105 7.7282 7.6414 7.9527 9.3363 0.0550 1.1280 0.8166 0.9168 0.4082 0.8890 0.3007 0.8603 2.7643 1.6195 3.5326 2.6676 0.0338 7.4623 0.4611 0.4713 1.9494 0.2604 2.3946 0.4342 2.3043 2.2055 0.0441 1.0100 0.3025 2.6387 0.9632 2.5831 3.1483 0.6664 8.8249 6.2011 4.1633 5.0759 6.3180 3.2758 24.6073 8.2148 2.0034 5.8662 11.9318 2.1932 5.0962 5.5729 2.3048 9.9830 27.7506 9.4929 3.6809 23.9728 23.8136 1.9709 24.1015 7.6325 3.1516 2.8462 68.7843 0.5289 9.6909 1.4941 4.1942 0.8857 1.5485 6.9056 80.5211 3.9208 31.5299 60.4770 15.8720 19.6342 13.2161 16.9053 55.2179 20.8362 27.9330 7.1504 21.4504 17.5800 18.1068 41.4109 0.4063 0.4944 16.9716 9.5895 16.8973 3.9463 0.2703 5.2943 7.3661 24.6539 43.9049 19.6530 36.4186 9.3281 8.0460 10.0806 2.5426 69.8600 42.6581 53.6359 16.2005 4.1113 55.7930 58.8435 21.4503 10.3229 16.1831 3.5843 10.1616 44.2430 8.2453 13.1860 28.8369 3.0139 6.7754 31.9270 54.3726 184.8770 0.5997 31.3620 22.1507 121.7797 164.7096 145.8401 51.0026 64.3281 10.7243 12.8300 4.0649 7.0305 7.0356 7.9025 281.3609 10.8421 10.8058 62.2357 61.9130 181.2513 11.6433 5.4771 29.1721 1.8308 6.5597 28.5346 11.4275 9.9188 7.3708 9.9797 35.6260 24.0670 87.5803 115.6816 26.6299 7.5435 2.5370 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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 13054.0522 26652.8254 27902.2835 0.99997 0.00786 -0.00179 -0.00748 0.98728 0.15880 0.00302 -0.15878 0.98731 1 0.00664 0.00325 0.00310 0.13825 0.06771 0.06468 23.44 32.67 41.49 45.22 47.94 65.45 72.79 78.70 89.38 91.11 98.09 158.03 169.24 182.90 192.94 210.58 222.76 231.30 278.29 299.81 332.81 333.90 366.93 373.65 397.25 408.35 419.63 444.84 476.24 503.90 514.03 518.37 528.36 541.01 563.96 573.67 580.20 601.69 624.01 663.20 708.81 713.43 737.49 758.85 769.54 813.22 826.72 861.94 885.43 898.96 927.76 941.90 942.20 954.46 986.33 1014.67 1029.08 1077.09 1097.73 1148.12 1154.18 1163.78 1168.68 1183.80 1198.31 1213.87 1231.28 1266.53 1271.27 1281.52 1311.64 1332.35 1347.73 1351.56 1385.67 1397.15 1417.28 1429.95 1432.61 1452.67 1463.96 1465.01 1487.52 1492.86 1502.63 1533.29 1533.79 1555.63 1558.05 1571.06 1597.21 1607.98 1624.95 1649.20 1652.87 1654.63 1661.06 1689.94 1730.49 1748.88 1750.31 1785.87 1815.55 1826.40 1839.01 1846.94 1856.38 1858.41 1870.79 1887.97 1927.86 1955.51 1961.09 1972.77 1988.32 1993.70 1996.90 2015.32 2020.41 2031.07 2054.32 2071.94 2084.90 2098.42 2108.88 2186.98 2195.80 2197.35 2216.39 2246.78 2249.74 2253.35 2276.46 2285.47 2295.82 2311.03 2329.50 2331.25 2338.67 2341.02 2342.63 2345.08 2352.49 2357.50 2364.10 2373.02 2376.57 2378.25 2383.67 2392.61 2395.48 2421.83 2427.32 2473.38 2528.43 2561.24 2605.56 2608.99 2647.39 2732.08 4628.63 4636.51 4645.31 4663.43 4726.53 4731.20 4742.32 4748.90 4752.79 4769.19 4779.72 4784.03 4796.43 4818.88 4842.45 4859.39 4863.37 4871.92 4879.78 4882.98 4884.97 4916.29 4920.23 4949.99 4961.46 4976.57 4983.35 5023.68 5514.91 0.570916 0.601438 0.602382 0.505833 -1949.391323 -1949.360802 -1949.359858 -1949.456406 3.238236D-04 MUNgauss RevisionA1.9 retrievium 11-Nov-2019 DUDE CC(C)(C)n1c(nnn1)[C@@H](c2cc3cc(ccc3[nH]c2=O)OC)[NH+](Cc4ccco4)Cc5cccs5 C06014932 RHF 6-31G(d) (6D,10F) C1 505.202146 |X|Y|Z| 106.159293 63.632226 57.960587 73.157014 29 6 7 8 16 21 6 1 1 |36.858105| |12.437645|36.858105| |7.528265|12.440690|36.858105| |7.620731|12.427581|7.634698|36.858105| |7.705685|12.681718|7.687145|7.743016|53.358707| |5.900364|7.255793|5.918567|5.024976|19.326973|36.858105| |4.424314|5.250871|4.402678|4.248215|12.114631|14.734299|53.358707| |4.353025|5.432892|4.306245|4.883615|12.374441|9.079530|19.517356|53.358707| |5.505668|7.789908|5.435560|7.183550|19.498993|8.932069|12.223863|20.719190|53.358707| |5.308748|5.646865|5.408014|3.963170|10.018995|12.598392|10.595927|7.304696|7.159417|36.858105| |6.302843|6.289510|6.412399|4.182472|9.405660|8.890171|7.810106|6.124667|6.475464|17.716690|0.500000| |3.884898|4.333930|4.620719|3.311307|7.256854|7.671525|8.592845|6.210153|5.845798|12.464150|0.247181|36.858105| |3.638868|4.167804|4.955945|3.244959|6.368309|5.744753|6.489116|5.235319|5.187299|7.619548|0.201023|14.205968|36.858105| |2.877329|3.270610|3.832295|2.722199|4.910497|4.202296|5.221766|4.418731|4.296953|4.951473|0.129959|7.799715|13.194908|36.858105| |2.611162|2.960290|3.582565|2.541636|4.223235|3.396018|4.225362|3.757555|3.753067|3.822437|0.105835|5.125865|7.655981|13.660048|36.858105| |2.203359|2.466634|2.882788|2.188414|3.523722|2.802044|3.614821|3.279480|3.236735|3.060794|0.083612|3.926884|5.086095|7.907498|13.815364|36.858105| |2.042891|2.269733|2.555286|2.028003|3.326501|2.694442|3.591828|3.238691|3.116215|2.920781|0.077450|3.785532|4.525749|6.885793|7.959163|13.613090|36.858105| |2.159226|2.396475|2.636867|2.113112|3.624508|3.038908|4.133710|3.625264|3.400012|3.330466|0.085313|4.535787|5.141233|7.925182|6.866226|7.884405|13.818982|36.858105| |2.540556|2.843138|3.142517|2.426966|4.402600|3.847629|5.130776|4.306618|4.015895|4.395370|0.109464|6.773768|7.850569|13.675750|7.894797|6.825335|7.950125|13.726464|36.858105| |2.635637|2.908109|3.063493|2.461056|4.696639|4.342837|6.064727|4.829435|4.318405|5.029983|0.116979|7.961127|6.992664|7.974830|5.193416|4.560254|5.180862|7.853929|13.735667|53.358707| |2.365503|2.577264|2.663542|2.230081|4.139882|3.745150|5.434930|4.440603|3.917208|4.171790|0.098353|5.798156|5.117642|5.785278|4.257954|3.998819|4.766626|7.247365|9.207376|25.954369|0.500000| |3.108249|3.395139|3.467108|2.770854|5.720752|5.799806|7.971812|5.781598|5.081487|7.347140|0.153553|12.906488|7.825844|6.693612|4.492611|3.758782|3.942054|5.159623|7.817357|19.227249|0.266625|36.858105| |2.986315|3.158622|3.078339|2.620392|5.374524|5.451817|8.101378|5.797291|4.924264|6.533991|0.136304|8.038065|5.368114|4.695317|3.495129|3.052717|3.232484|4.091208|5.397772|11.607929|0.220782|15.669895|73.516695| |2.031467|2.257674|2.653833|2.043065|3.140322|2.429367|3.124040|2.898116|2.904139|2.612088|0.072830|3.168965|3.968387|5.287136|8.237736|14.199487|7.848905|5.192200|4.611778|4.700691|0.086754|2.993782|4.486204|73.516695| |1.771268|1.949160|2.232893|1.796024|2.719012|2.094430|2.743447|2.573521|2.560665|2.220619|0.061426|2.634131|3.128810|3.976109|5.263704|7.991385|6.690035|4.508726|3.783938|4.049483|0.077510|2.572098|3.960504|24.088384|36.858105| |4.499324|4.292848|3.927595|3.269688|7.191128|7.681365|8.678075|6.213089|5.809705|12.576365|0.253006|7.609553|5.169435|3.886469|3.105272|2.609560|2.563106|2.943467|3.722677|6.084026|0.109741|6.494861|12.731604|4.014396|1.968861|53.358707| |3.776085|3.766405|3.471447|2.994355|6.503953|7.021894|9.336682|6.406432|5.621130|9.434438|0.183686|7.515397|4.943559|3.910585|3.070704|2.627628|2.648650|3.122423|3.961677|6.922569|0.127746|7.864454|18.709818|3.998998|1.978536|25.387805|0.500000| |4.979444|4.355715|3.668184|3.411319|7.118688|6.626243|7.885650|6.232287|5.970152|7.445991|0.183186|4.918788|3.804791|3.024225|2.542621|2.189258|2.146639|2.407579|2.906437|4.580088|0.085915|4.416606|8.785286|3.454260|1.720390|17.123522|0.256848|36.858105| |3.673684|3.279310|2.852470|2.749048|5.179814|4.557561|6.069765|5.061443|4.706145|4.947300|0.123909|3.855178|3.087909|2.591839|2.211210|1.954355|1.949753|2.190819|2.574536|4.093810|0.079698|3.792013|7.967773|3.103696|1.570890|10.409917|0.203271|12.820807|36.858105| |3.089194|2.867482|2.501061|2.500533|4.585925|3.956012|5.704805|4.918128|4.412681|4.018937|0.099052|3.352542|2.726485|2.364376|2.029612|1.825700|1.847971|2.085312|2.407341|3.861648|0.077254|3.477940|7.518205|2.904941|1.487042|7.518825|0.165601|7.375659|14.198692|36.858105| |2.611373|2.403868|2.148580|2.134751|3.691190|3.083866|4.350823|3.865176|3.553920|3.213997|0.082127|2.798693|2.353085|2.086752|1.821695|1.659718|1.684578|1.883758|2.132327|3.363838|0.068179|2.919214|6.165831|2.665079|1.376516|5.752497|0.123457|5.158395|8.581969|13.255343|36.858105| |2.699772|2.421382|2.189924|2.122140|3.621371|3.010032|4.066186|3.588925|3.388268|3.270246|0.086053|2.820570|2.394302|2.105776|1.847503|1.673715|1.683062|1.867737|2.120339|3.299371|0.066039|2.864193|5.897261|2.697031|1.387638|5.962316|0.121111|5.343838|8.782767|8.604626|14.221475|36.858105| |3.268028|2.856062|2.563160|2.425669|4.275514|3.617781|4.698469|4.042748|3.865598|4.082542|0.108427|3.342185|2.784831|2.376930|2.064063|1.837717|1.827538|2.029885|2.349993|3.657652|0.071600|3.271930|6.664721|2.946243|1.498115|8.011282|0.151458|7.841202|14.096827|8.616996|8.618527|14.164554|73.516695| |3.736124|3.469106|3.380956|2.733004|5.282098|4.955587|5.834612|4.577973|4.397065|7.565098|0.198462|6.298685|4.811567|3.773527|3.076167|2.604327|2.552208|2.901916|3.607333|5.719779|0.104447|5.622517|10.604008|4.028443|1.979150|17.054600|0.260764|7.524894|6.246226|4.621690|3.977897|4.456660|10.678988|36.858105| |4.020034|3.548312|3.570871|2.772686|4.985215|4.307028|4.869013|4.038037|4.067597|6.220970|0.201093|5.156000|4.488585|3.518070|3.013698|2.530076|2.404219|2.631877|3.193568|4.705798|0.085628|4.263070|7.456090|4.005183|1.955922|10.144543|0.157363|5.936519|4.862616|3.682868|3.315173|3.825464|9.023018|12.710793|36.858105| |3.723387|3.404450|3.672785|2.682121|4.607550|3.846514|4.344330|3.682747|3.764897|5.389550|0.183006|5.012515|4.872969|3.855033|3.399188|2.803076|2.592113|2.772148|3.348075|4.674539|0.083866|4.017952|6.616202|4.466077|2.147643|7.349982|0.123530|4.342166|3.639990|2.944005|2.691171|3.018800|6.637785|7.511533|14.084549|36.858105| |3.550596|3.140959|3.403542|2.546495|4.045566|3.193933|3.660068|3.223983|3.360180|4.071317|0.137717|3.737802|3.772372|3.140411|2.923972|2.471346|2.263351|2.355578|2.740063|3.744336|0.068603|3.102546|5.189149|4.070831|1.981258|5.509601|0.095190|3.609634|3.119681|2.570173|2.404850|2.719300|5.844842|5.053245|8.181009|13.307205|36.858105| |3.665755|3.075790|3.166433|2.526486|3.936759|3.062549|3.542551|3.157820|3.302105|3.763040|0.124742|3.286770|3.187995|2.673808|2.477894|2.134630|1.986731|2.080281|2.396186|3.345332|0.062269|2.800411|4.841161|3.533939|1.747942|5.375800|0.092166|3.800615|3.348169|2.714493|2.574823|2.988047|6.517201|4.820090|7.690769|8.266816|14.154751|36.858105| |3.991202|3.269106|3.165198|2.647515|4.386176|3.534296|4.101070|3.576004|3.673611|4.425935|0.141403|3.621220|3.273362|2.695308|2.409371|2.080274|1.978863|2.124399|2.480937|3.606094|0.067527|3.138753|5.649870|3.383094|1.682180|7.124262|0.117059|5.341053|4.720653|3.560946|3.349665|4.071312|9.728269|6.669683|10.950782|7.465482|7.455902|11.077139|388.023441| |17.571426|8.696305|6.854153|5.495954|9.294490|6.148453|6.060900|5.555696|6.535913|6.362850|0.233209|4.390504|4.037578|3.098832|2.769619|2.309864|2.139682|2.276631|2.715268|3.861013|0.070135|3.413122|5.820382|3.753894|1.829812|7.411244|0.119871|5.901665|4.139347|3.328011|2.813108|2.978053|6.632970|4.586313|5.186205|4.675968|4.378786|4.549785|36.220794|0.500000| |17.576460|8.787210|5.482216|6.916549|9.610934|5.545279|6.048848|6.142162|7.674538|4.769748|0.145407|3.512078|3.197483|2.591090|2.340456|2.011122|1.895098|2.017462|2.352131|3.380857|0.062877|2.935675|5.168809|3.296288|1.637123|5.952803|0.103901|5.304434|3.975524|3.372725|2.818235|2.880331|6.169821|3.561703|3.698451|3.309484|3.150396|3.342003|27.053974|0.300146|0.500000| |17.585807|8.864991|6.842875|7.050033|7.602976|4.477379|4.843835|4.847126|5.987757|4.212495|0.138941|3.309778|3.220764|2.621806|2.446732|2.084042|1.916618|1.994345|2.306724|3.198679|0.058985|2.698628|4.590037|3.473592|1.710447|4.996348|0.087451|3.984345|3.126697|2.676340|2.330715|2.430108|5.129622|3.232508|3.590190|3.450268|3.461385|3.608805|26.368225|0.303585|0.301778|0.500000| |6.765617|8.874492|17.589466|7.154946|7.603148|4.476074|4.828952|4.825485|5.966564|4.234791|0.138924|3.727560|4.043456|3.302203|3.216726|2.650694|2.334778|2.363634|2.740683|3.597862|0.064853|2.922543|4.684493|4.460839|2.131076|4.506404|0.081861|3.176548|2.548679|2.249792|1.969351|2.020857|4.163173|2.965777|3.218713|3.370853|3.281097|3.082652|21.146566|0.166700|0.139240|0.200815|0.500000| |5.483754|8.780339|17.579504|6.838089|9.686984|5.661509|6.071302|6.070127|7.540816|4.977883|0.150895|4.648588|5.197430|4.172600|3.955294|3.168915|2.784982|2.852998|3.388221|4.394517|0.077622|3.553547|5.497733|5.165240|2.424661|4.913398|0.091952|3.299392|2.631719|2.360491|2.030928|2.043831|4.183737|3.106326|3.171226|3.279770|2.998539|2.759806|19.680458|0.140862|0.122863|0.139475|0.301508|0.500000| |6.948148|8.712166|17.588232|5.510829|9.166678|6.077039|5.956135|5.445291|6.410335|6.449920|0.238594|5.491714|6.103697|4.392948|4.029781|3.133715|2.746879|2.848469|3.474172|4.584221|0.079937|3.870438|5.983287|5.056859|2.355745|6.081042|0.106635|3.961786|3.034490|2.605432|2.244591|2.319940|4.898666|3.948707|4.306950|4.587378|4.136413|3.702177|25.871336|0.207632|0.141203|0.172515|0.304122|0.299910|0.500000| |6.942972|8.736614|5.513983|17.628518|9.504247|4.734664|5.733383|6.875656|10.059996|3.681814|0.105078|3.044229|2.900184|2.462353|2.280762|1.992839|1.875875|1.970143|2.247994|3.157768|0.059163|2.624433|4.522728|3.303677|1.652992|4.335784|0.081817|3.469619|2.840515|2.619526|2.225767|2.189737|4.415823|2.638875|2.639514|2.497935|2.373697|2.400192|18.296498|0.140417|0.207084|0.174674|0.144004|0.140125|0.122506|0.500000| |5.509329|8.742466|6.956810|17.619026|9.509765|4.749068|5.724929|6.818193|9.920639|3.709031|0.105638|3.257587|3.251351|2.792733|2.631236|2.280589|2.112775|2.190624|2.496630|3.407306|0.063076|2.764723|4.596163|3.790974|1.876662|4.122746|0.078918|3.065758|2.520002|2.333992|2.000142|1.970254|3.951975|2.545730|2.541894|2.488760|2.342943|2.288328|16.925627|0.122317|0.141077|0.142741|0.177979|0.204247|0.140191|0.302076|0.500000| |7.036071|8.945190|7.057626|17.582136|7.648226|4.076512|4.725951|5.211905|6.952524|3.464091|0.104516|2.954538|2.963543|2.521699|2.407873|2.085105|1.915086|1.968358|2.234079|3.042675|0.056468|2.482166|4.167338|3.514706|1.742455|3.976587|0.073946|3.043745|2.500604|2.267602|1.974537|1.986416|4.020256|2.530633|2.637081|2.595261|2.533299|2.525073|18.306232|0.143295|0.171375|0.215273|0.219257|0.169070|0.144547|0.301259|0.301115|0.500000| |4.069083|4.700504|6.184563|3.560277|6.624871|5.504391|5.903568|4.984204|5.202306|7.051607|0.219131|9.074131|17.721397|8.827470|7.075559|4.686315|3.953280|4.182094|5.628662|6.825490|0.110307|5.567824|7.606705|6.926705|3.042188|6.462157|0.119861|3.684960|2.948729|2.573142|2.236439|2.301324|4.790761|4.478572|4.555877|5.194658|4.162847|3.450652|24.223753|0.126240|0.095567|0.101520|0.138524|0.175641|0.234066|0.086035|0.097976|0.091872|0.500000| |2.749948|3.122052|3.952190|2.675336|4.278438|3.331596|4.036540|3.648772|3.744801|3.732113|0.107899|4.680719|6.967652|8.854672|17.731098|9.001132|5.663690|4.949647|5.617768|5.714508|0.097769|3.896803|5.561709|13.516583|4.871172|4.084662|0.080437|2.502057|2.156155|1.961912|1.764774|1.802952|3.600704|2.981238|3.032481|3.502779|3.095874|2.595670|17.496133|0.080868|0.067370|0.072648|0.100514|0.121058|0.125041|0.065717|0.076663|0.071482|0.212119|0.500000| |1.834807|2.022395|2.249433|1.836502|2.943963|2.354949|3.173698|2.906408|2.796040|2.515629|0.066965|3.136637|3.607479|4.963012|5.651986|8.848753|17.770809|9.019004|5.672757|5.718433|0.112986|3.302674|5.005826|12.482423|7.427008|3.069709|0.064863|1.925419|1.772873|1.695919|1.560663|1.555770|2.972409|2.253654|2.132113|2.283321|2.028341|1.799591|12.725795|0.053059|0.047644|0.048148|0.057842|0.067741|0.066341|0.047518|0.053205|0.048434|0.090008|0.124351|0.500000| |1.989633|2.186697|2.350359|1.951774|3.328872|2.790624|3.896882|3.440345|3.180285|3.010706|0.076412|3.941936|4.171754|5.634182|4.948842|5.624934|8.956138|17.721055|8.896015|9.696659|0.215451|4.736014|7.087808|7.446763|3.909905|3.749176|0.082615|2.285937|2.123123|2.053859|1.868686|1.836966|3.501064|2.715117|2.429101|2.509697|2.149160|1.926747|14.148262|0.058044|0.052303|0.051060|0.058881|0.070039|0.069706|0.051160|0.056135|0.050460|0.096321|0.107475|0.218375|0.500000| |1.689877|1.836143|2.077521|1.684581|2.574366|2.003311|2.634791|2.452924|2.422915|2.148706|0.059241|2.554070|2.981993|3.778897|4.758573|7.004813|6.688269|4.569578|3.729327|4.035293|0.078372|2.540604|3.943070|16.414981|17.571715|2.636066|0.054301|1.687997|1.555376|1.475009|1.374159|1.388049|2.653098|1.973522|1.943579|2.134319|1.964660|1.732037|11.866902|0.048809|0.043595|0.045254|0.054993|0.061803|0.061318|0.043367|0.048505|0.045368|0.079485|0.119694|0.223292|0.112953|0.500000| |1.701430|1.863699|2.141542|1.733151|2.561594|1.947167|2.537476|2.402936|2.414007|2.053442|0.057419|2.380151|2.806076|3.409194|4.427077|5.884269|4.888754|3.616121|3.181041|3.517859|0.067438|2.293640|3.574541|16.990878|17.668459|2.486697|0.050621|1.615324|1.476461|1.396268|1.297418|1.311614|2.514882|1.839430|1.841127|2.027942|1.903039|1.684648|11.416231|0.048625|0.043646|0.046067|0.057617|0.064308|0.062384|0.044264|0.050263|0.047144|0.077616|0.121536|0.145441|0.088992|0.300146|0.500000| |1.731134|1.921016|2.177118|1.787248|2.706166|2.079994|2.762683|2.612627|2.583523|2.166924|0.059259|2.565596|2.995765|3.791990|4.778188|7.026254|6.693469|4.577005|3.738767|4.040605|0.078286|2.543978|3.935664|16.416613|17.572607|2.615732|0.054078|1.687598|1.544834|1.473773|1.360642|1.361496|2.602343|1.904966|1.860502|2.011465|1.849200|1.649497|11.426135|0.049306|0.044703|0.046269|0.057451|0.066327|0.062961|0.045851|0.052324|0.047896|0.079949|0.120251|0.222410|0.113037|0.298320|0.300105|0.500000| |5.361843|4.895337|3.869886|3.868449|8.697353|8.017565|10.016635|7.999734|7.522950|7.140584|0.168939|4.748816|3.706315|2.968605|2.504618|2.163816|2.124622|2.380607|2.861526|4.497547|0.084596|4.288612|8.446195|3.418787|1.706235|12.364140|0.219710|17.727416|9.114672|6.921507|4.681420|4.501502|10.357364|5.555108|4.620159|3.673986|3.136669|3.254391|30.053560|0.162767|0.167187|0.115440|0.091804|0.097732|0.111339|0.112218|0.096278|0.092758|0.099786|0.068437|0.053029|0.062907|0.046190|0.044519|0.046863|0.500000| |5.863799|4.615579|3.870928|3.556273|6.868322|5.793610|6.493853|5.468465|5.576292|6.633748|0.189608|4.432668|3.630959|2.875992|2.474025|2.121559|2.048174|2.254326|2.694347|4.097992|0.076448|3.808520|7.183702|3.389245|1.683933|12.272788|0.180392|17.672956|8.929724|5.653052|4.455082|4.920400|13.029761|6.945612|6.623063|4.743782|4.092156|4.514224|47.942126|0.208673|0.173088|0.130006|0.094890|0.093329|0.117372|0.099828|0.086414|0.090148|0.101803|0.068923|0.051143|0.059000|0.045805|0.044246|0.045607|0.301039|0.500000| |3.030035|2.905624|2.508602|2.573084|4.787641|4.130496|6.358258|5.562051|4.793822|3.949705|0.095206|3.347344|2.716952|2.375620|2.034303|1.837583|1.871317|2.121855|2.443454|3.949065|0.079621|3.539360|7.715781|2.916879|1.496714|6.921034|0.159293|6.385663|8.823159|17.785636|8.450040|5.855424|10.437604|4.061276|3.266165|2.695721|2.356472|2.447239|21.957953|0.088352|0.092370|0.072581|0.062301|0.066703|0.071484|0.075577|0.067489|0.063964|0.070689|0.054347|0.047763|0.058357|0.041098|0.038958|0.041489|0.190496|0.135958|0.500000| |2.302712|2.149832|1.935457|1.945036|3.282030|2.700196|3.868597|3.512318|3.219379|2.767870|0.070972|2.477481|2.116690|1.910953|1.682724|1.550230|1.583174|1.765489|1.969875|3.090321|0.063458|2.618502|5.488692|2.500199|1.301644|4.728472|0.102658|4.046881|5.848658|8.455656|17.814086|8.826394|10.444594|3.300690|2.810849|2.351895|2.127063|2.260438|20.164014|0.067870|0.068854|0.057779|0.049608|0.051290|0.055733|0.056473|0.051072|0.050162|0.055835|0.045185|0.041048|0.049068|0.036163|0.034118|0.035858|0.106221|0.099418|0.193330|0.500000| |2.447182|2.190461|2.010996|1.937596|3.207152|2.621688|3.509507|3.139468|3.000006|2.865025|0.076934|2.526009|2.192406|1.951484|1.733294|1.580586|1.587189|1.746509|1.960623|3.006582|0.060352|2.555120|5.150232|2.565148|1.325862|5.016096|0.100787|4.275029|6.036756|5.818004|8.616017|17.839343|16.502709|3.933880|3.550025|2.866901|2.645045|2.941057|27.889806|0.074851|0.071801|0.062339|0.052149|0.052161|0.059264|0.055281|0.050074|0.050972|0.058941|0.047150|0.040968|0.047775|0.036968|0.034933|0.036032|0.101730|0.114905|0.123117|0.195118|0.500000| |3.294462|3.202048|3.235126|2.559871|4.905322|4.623487|5.607472|4.382487|4.152409|7.013905|0.176893|7.255194|5.496202|4.399440|3.468839|2.926112|2.901755|3.372879|4.298427|6.977998|0.125234|6.916062|12.455936|4.433989|2.166130|12.403336|0.236742|5.590360|4.889575|3.974200|3.491469|3.777228|8.300783|17.690482|8.995770|7.153319|4.704399|4.207506|36.466665|0.108708|0.086263|0.080428|0.078742|0.084885|0.105353|0.067995|0.067578|0.065909|0.134016|0.091046|0.070361|0.087175|0.060458|0.055313|0.057695|0.126890|0.141424|0.100829|0.083184|0.094688|0.500000| |3.295895|3.026368|2.890502|2.466838|4.594079|4.174581|5.206562|4.193377|3.976361|5.590215|0.145133|4.830604|3.836339|3.185858|2.659113|2.316009|2.304961|2.616374|3.147800|5.028690|0.095761|4.733840|9.600406|3.621869|1.809824|12.434623|0.227392|7.208028|7.357889|5.348850|4.802995|5.667140|13.988193|17.686691|8.868736|5.741252|4.330581|4.378547|45.127951|0.108987|0.090207|0.080372|0.071767|0.074395|0.090790|0.067375|0.063927|0.063731|0.099473|0.071343|0.057427|0.069491|0.050434|0.046875|0.048604|0.145778|0.179699|0.123454|0.107649|0.136941|0.304149|0.500000| |3.409872|3.289856|3.672918|2.610259|4.533888|3.838349|4.383538|3.688800|3.733237|5.427946|0.176139|5.716846|5.933150|4.706685|4.092660|3.290562|3.008329|3.221020|3.965472|5.379556|0.094407|4.512806|7.072240|5.142677|2.428320|6.922620|0.122078|3.904360|3.303676|2.755791|2.508320|2.744246|5.861908|6.729892|8.906019|17.731539|8.613426|5.747080|37.715710|0.114597|0.083985|0.087641|0.092580|0.094019|0.128528|0.066916|0.068618|0.069756|0.172405|0.116092|0.072398|0.079436|0.067252|0.063043|0.062575|0.094713|0.112837|0.071439|0.061643|0.072165|0.208067|0.142604|0.500000| |3.186798|2.895891|3.231193|2.399958|3.678871|2.850625|3.307898|2.958825|3.096676|3.513144|0.116518|3.360702|3.541325|3.050690|2.945464|2.507414|2.262127|2.305691|2.634799|3.506900|0.064432|2.820028|4.656621|4.207573|2.045178|4.604987|0.081954|3.033852|2.660524|2.251456|2.119902|2.361136|4.933058|4.039533|5.707545|8.593781|17.760627|8.906428|37.710314|0.105023|0.078275|0.088409|0.088626|0.080184|0.107964|0.061685|0.061992|0.067171|0.110245|0.088340|0.056569|0.058169|0.056329|0.055062|0.052505|0.075334|0.093534|0.058106|0.052822|0.064219|0.109118|0.098188|0.201983|0.500000| 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