Version2.0 2020-04-08T01:00:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3cccc(c3)[N+](=O)[O-] C16735609 RHF 6-31G(d) (6D,7F) C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3cccc(c3)[N+](=O)[O-] C01[X(C24H28N4O7S1)] 186 C1 600 C[NH+](CCCN1[C@H](c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C C[NH+](CCCN1[C@H](c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C CN(C)[S](=O)(=O)c1ccc(cc1)C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]2c3cccc(c3)[N+]([O-])=O InChIKey=CYGDXXYQWKWWQE-OAQYLSRUSA-N InChI=1S/C24H28N4O7S/c1-25(2)13-6-14-27-21(17-7-5-8-18(15-17)28(32)33)20(23(30)24(27)31)22(29)16-9-11-19(12-10-16)36(34,35)26(3)4/h5,7-12,15,21,30H,6,13-14H2,1-4H3/t21-/m1/s1 InChI=1/C24H28N4O7S/c1-25(2)13-6-14-27-21(17-7-5-8-18(15-17)28(32)33)20(23(30)24(27)31)22(29)16-9-11-19(12-10-16)36(34,35)26(3)4/h5,7-12,15,21,30H,6,13-14H2,1-4H3/t21-/m1/s1/f/h30h,25H C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3cccc(c3)[N+](=O)[O-] C01[X(C24H28N4O7S1)] 186 C01 600 C[NH+](CCCN1[C@H](c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C C[NH](CCCN1[C@@H](O)C(=O)[C@H]([C@H]1c1cccc(c1)N(O)O)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C CN(C)[S](=O)(=O)c1ccc(cc1)C(=O)[C@H]2[C@H](N(CCC[NH](C)C)[C@@H](O)C2=O)c3cccc(c3)N(O)O InChIKey=NUVTVBACJRQWGI-LGVFNWMJSA-N InChI=1S/C24H33N4O7S/c1-25(2)13-6-14-27-21(17-7-5-8-18(15-17)28(32)33)20(23(30)24(27)31)22(29)16-9-11-19(12-10-16)36(34,35)26(3)4/h5,7-12,15,20-21,24-25,31-33H,6,13-14H2,1-4H3/t20-,21-,24+/m1/s1 InChI=1/C24H33N4O7S/c1-25(2)13-6-14-27-21(17-7-5-8-18(15-17)28(32)33)20(23(30)24(27)31)22(29)16-9-11-19(12-10-16)36(34,35)26(3)4/h5,7-12,15,20-21,24-25,31-33H,6,13-14H2,1-4H3/t20-,21-,24+/m1/s1 4332.0499516605 -2064.231041 1-A 20064.2085 136 464 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.18762 -20.61578 -20.61476 -20.56007 -20.53321 -20.53292 -20.49096 -20.47890 -15.86955 -15.73673 -15.61993 -15.58730 -11.35727 -11.35431 -11.34733 -11.34418 -11.31531 -11.31409 -11.29679 -11.29581 -11.29041 -11.28312 -11.28111 -11.27831 -11.27294 -11.27192 -11.27084 -11.25585 -11.25484 -11.25260 -11.24480 -11.24253 -11.23665 -11.23459 -11.22976 -11.17399 -9.15927 -6.84585 -6.84527 -6.84421 -1.64816 -1.45929 -1.43115 -1.42442 -1.38850 -1.34042 -1.33448 -1.32207 -1.29593 -1.24153 -1.21279 -1.16420 -1.13989 -1.11075 -1.07995 -1.06986 -1.05823 -1.04495 -1.02307 -1.00622 -0.97881 -0.97218 -0.96847 -0.94825 -0.94357 -0.90361 -0.87383 -0.86312 -0.83899 -0.83403 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3310.6105 3346.6256 3351.4828 3356.8392 3357.4916 3360.8177 3377.4347 3378.9857 3379.1795 3394.1753 3396.2221 3410.1632 3413.0764 3423.9251 3438.1996 6.6354 5.8091 5.6092 5.3676 4.4384 6.6517 7.4856 3.7764 5.4468 3.2593 6.9520 6.4153 3.1093 4.0974 2.9679 8.2954 4.7737 6.5430 4.3102 2.9991 1.6007 1.7149 1.9007 1.4087 5.1287 1.6819 4.6693 2.0192 3.5224 3.6484 4.2638 2.8253 7.5546 5.1903 5.1182 3.0864 5.4529 3.9051 4.6600 3.1448 5.3172 2.3697 8.1230 3.3613 4.1854 3.3281 3.0912 4.8507 2.2189 6.4690 5.5251 6.0454 7.2726 6.6070 5.4220 4.4547 9.3447 6.8810 6.7961 3.6353 5.8039 6.6301 4.8452 3.0766 4.0782 3.3735 4.4199 5.0004 5.2522 5.9253 7.1185 3.0283 3.1687 2.0816 1.6429 1.4049 1.8493 3.1637 3.3649 2.8385 1.6032 2.7166 1.5781 3.9628 2.8497 1.4716 3.0264 1.6562 2.0235 1.3610 2.5793 2.0015 1.5052 1.2413 2.3891 2.2120 1.7977 3.3262 2.0474 1.2185 1.8831 1.6733 7.0586 1.3752 2.3270 3.6284 1.2316 1.8941 3.3735 1.8330 2.2468 3.9188 5.5634 1.8941 1.7905 1.4379 2.1100 1.3979 1.3781 1.3291 11.6206 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1.00783 1.00783 1.00783 1.00783 9928.3057 28726.9769 34126.7339 0.99999 -0.00499 -0.00193 0.00499 0.99999 0.00072 0.00192 -0.00072 1.00000 1 0.00872 0.00302 0.00254 0.18178 0.06282 0.05288 20.78 26.50 33.35 40.38 47.81 61.83 71.00 83.09 88.33 106.78 110.54 118.36 126.94 140.17 164.55 195.60 204.52 231.07 242.55 282.45 293.79 294.56 302.00 311.40 331.76 347.48 363.03 380.59 386.71 425.20 434.91 437.40 486.86 495.09 500.48 523.96 549.59 575.67 591.00 595.53 607.54 632.36 642.99 656.81 669.24 693.41 712.07 726.75 762.24 797.91 810.18 826.52 840.93 853.81 889.75 906.27 949.35 990.97 996.54 1067.14 1087.00 1098.14 1117.07 1140.31 1161.08 1198.45 1223.53 1243.47 1257.24 1275.06 1298.63 1322.45 1329.67 1339.93 1388.26 1393.77 1402.80 1459.76 1479.19 1501.02 1516.57 1525.43 1564.57 1569.32 1574.94 1590.31 1599.72 1608.55 1616.81 1636.32 1653.11 1669.08 1687.11 1702.74 1714.05 1719.61 1722.56 1730.42 1759.22 1772.06 1798.43 1802.77 1819.95 1850.34 1860.66 1873.92 1876.61 1883.38 1899.85 1917.67 1921.66 1944.73 1963.78 1984.40 1990.72 2014.69 2053.21 2064.20 2082.32 2084.11 2112.63 2123.21 2145.25 2176.99 2205.77 2227.57 2239.00 2246.56 2285.12 2289.25 2307.47 2323.94 2329.34 2331.84 2332.94 2342.85 2350.67 2355.24 2361.02 2363.37 2366.17 2370.63 2374.35 2380.53 2385.49 2388.68 2394.62 2404.31 2442.45 2499.73 2527.39 2558.97 2586.04 2599.44 2651.91 2674.97 2680.43 2816.40 4404.98 4585.02 4607.50 4607.69 4639.82 4661.41 4678.24 4684.06 4698.57 4720.01 4727.59 4730.68 4748.32 4763.23 4815.05 4822.04 4829.74 4830.68 4835.47 4859.38 4861.61 4861.89 4883.46 4886.41 4906.46 4910.66 4926.26 4946.80 0.551625 0.584196 0.585140 0.483601 -2063.679416 -2063.646845 -2063.645901 -2063.747440 3.405635D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3cccc(c3)[N+](=O)[O-] C16735609 RHF 6-31G(d) (6D,10F) C1 516.167871 |X|Y|Z| 64.632543 38.010987 120.173382 66.587017 18 6 7 17 1 |36.858105| |12.849781|53.358707| |9.351295|24.960422|0.500000| |7.789872|17.483267|0.259227|36.858105| |7.744202|17.354515|0.257690|7.645495|36.858105| |4.944886|10.112001|0.195874|6.094150|12.446204|36.858105| |4.245788|8.037212|0.187526|4.856231|7.276503|12.345713|36.858105| |3.976910|7.484054|0.188537|5.009182|5.534725|7.511671|13.154573|53.358707| |3.078644|5.388542|0.125979|3.915673|4.010346|5.293715|7.434941|17.595882|36.858105| |2.787351|4.715070|0.108741|3.315751|3.640354|4.786683|6.973594|12.531950|17.539571|0.500000| |2.903412|4.882994|0.116204|3.651435|3.380065|4.008074|5.109536|11.102191|12.573621|0.241190|36.858105| |3.378112|5.667332|0.142881|4.162351|3.660642|4.063099|5.098550|11.070567|7.922432|0.168554|13.546773|36.858105| |4.350758|7.923969|0.224002|5.251458|5.056131|5.654862|7.778442|19.403097|8.155165|0.175976|8.170518|12.402519|36.858105| |5.547926|9.848926|0.331219|5.747706|5.641117|5.465509|6.743234|11.481336|5.432151|0.129277|5.415671|7.701238|15.579043|73.516695| |3.240374|5.143257|0.127585|3.822746|3.217348|3.376332|3.988747|7.513393|5.289230|0.122976|7.865399|15.806687|8.032928|11.823160|73.516695| |2.407761|3.891080|0.089148|2.973657|2.715623|3.140110|3.749099|6.941026|7.269492|0.173691|13.212392|7.564988|5.096349|6.933878|10.906647|36.858105| |2.271278|3.583593|0.081457|2.779808|2.447603|2.729884|3.140670|5.571513|5.127715|0.125252|8.114304|6.482232|4.345577|6.263196|11.047933|15.800741|73.516695| |2.114167|3.378597|0.075514|2.557219|2.448865|2.881738|3.402239|5.801981|6.208808|0.171434|7.476537|4.933187|3.942194|5.610912|7.396263|12.529421|14.560567|36.858105| |1.912350|3.018246|0.066018|2.331273|2.189471|2.539891|2.856483|4.659103|4.597165|0.124345|5.178211|3.845271|3.191865|4.720772|6.071033|7.609431|11.809721|13.695670|36.858105| |1.719510|2.681406|0.057965|2.050626|1.979171|2.291083|2.544046|3.961980|3.753187|0.106525|3.915915|3.071166|2.681540|4.068416|4.915564|5.031555|8.061238|7.906425|13.789112|36.858105| |1.680561|2.611645|0.056572|1.956001|1.958070|2.282288|2.576638|3.918458|3.689700|0.111133|3.680464|2.910788|2.613245|3.985550|4.620848|4.435588|6.875986|6.863653|7.959073|13.709062|36.858105| |1.806524|2.823300|0.061965|2.075162|2.127430|2.506825|2.938778|4.501637|4.347965|0.139750|4.264891|3.294363|2.966879|4.462877|5.119466|4.987769|7.305258|7.899409|6.867771|7.903835|13.745423|36.858105| |2.036563|3.229821|0.072217|2.371784|2.399238|2.849633|3.459674|5.627477|5.870246|0.190308|6.093476|4.318183|3.713930|5.376101|6.471833|7.476369|9.758407|13.716296|7.949258|6.871467|7.961747|13.749004|36.858105| |1.477245|2.260916|0.048362|1.686448|1.710832|1.966727|2.167496|3.172446|2.823202|0.084795|2.757077|2.298964|2.129205|3.338435|3.723893|3.139295|5.079654|4.187976|4.729909|6.945112|10.740548|6.955165|4.730329|388.023441| |1.429009|2.170514|0.046585|1.595665|1.648803|1.884184|2.098360|3.031065|2.645478|0.081179|2.575796|2.185114|2.045135|3.235500|3.556313|2.864260|4.638192|3.686863|3.841657|4.968242|7.357614|6.488083|4.418832|94.729899|73.516695| |1.381190|2.098093|0.044683|1.580996|1.571240|1.779805|1.930508|2.837853|2.482300|0.072410|2.486964|2.112067|1.938441|3.066586|3.482090|2.871403|4.822688|3.685672|4.413755|6.458356|7.355238|4.981565|3.843854|94.749247|13.596661|73.516695| |1.487934|2.285579|0.048344|1.708023|1.757072|2.040036|2.206516|3.152110|2.772687|0.083143|2.594262|2.178457|2.074216|3.268553|3.497603|2.833900|4.534820|3.629355|4.018056|5.381973|6.927904|5.355513|4.010464|82.442643|13.729447|13.733264|53.358707| |1.554630|2.396374|0.050642|1.766745|1.874503|2.205345|2.401324|3.347540|2.922307|0.090175|2.630748|2.214940|2.161243|3.410297|3.515282|2.766109|4.339724|3.467080|3.577919|4.376961|5.668788|5.238901|4.007986|51.003646|11.697405|8.894988|17.795098|36.858105| |1.494124|2.300704|0.048247|1.746773|1.763741|2.044232|2.160778|3.094905|2.708646|0.078689|2.537223|2.139723|2.037678|3.216143|3.444273|2.772333|4.487634|3.466064|4.019144|5.280074|5.669320|4.354395|3.569291|51.044777|8.897696|11.713473|17.806523|7.752063|36.858105| |2.879437|5.039845|0.110041|3.904588|3.864225|5.253392|6.035366|10.531011|12.448392|0.249647|7.387481|5.364862|5.490068|7.443257|7.243773|5.890059|7.959754|5.705108|4.806726|4.008832|3.808803|4.173413|5.123171|20.994049|4.743922|4.646963|4.120666|3.174585|3.083943|36.858105| |2.905232|5.068301|0.107649|4.276364|3.700463|4.667615|4.764079|8.125171|7.473031|0.155842|6.268500|5.031494|4.913563|6.970809|7.184835|5.441573|8.023454|4.949099|4.591511|3.759194|3.371547|3.480468|4.126735|19.044795|4.239961|4.381195|3.730337|2.773039|2.897316|13.655029|36.858105| |2.601082|4.387230|0.089544|3.753578|3.275797|4.002195|3.814304|5.849680|4.977989|0.116671|4.342102|3.698383|3.671264|5.561549|5.622288|4.092769|6.411910|4.007317|4.047131|3.530104|3.142135|3.102377|3.449270|18.528661|4.065702|4.337170|3.751794|2.761405|3.037725|7.868986|13.773792|36.858105| |2.354446|3.895524|0.078876|3.181394|3.042161|3.783490|3.591195|5.159689|4.390587|0.110864|3.672278|3.117991|3.167390|4.884333|4.771573|3.509502|5.460609|3.678122|3.765382|3.513453|3.236226|3.157159|3.348850|19.711163|4.297894|4.551732|4.190625|3.146810|3.475410|6.782582|7.925497|13.737854|36.858105| |2.344351|3.891575|0.079999|3.028647|3.137528|4.088934|4.064149|5.666802|5.009682|0.134100|3.883724|3.205399|3.318786|5.051634|4.804222|3.641193|5.464907|3.981771|3.905403|3.734030|3.631364|3.660042|3.836383|21.951539|4.833020|4.863655|4.780857|3.782374|3.825773|7.956332|6.970531|8.038666|13.815009|36.858105| |2.556451|4.335539|0.091950|3.275635|3.499404|4.796667|5.270034|7.627268|7.531813|0.206326|5.061405|3.949808|4.140679|6.026147|5.660616|4.478176|6.344697|4.884642|4.373249|3.999786|3.995052|4.328242|4.835688|22.819779|5.135413|4.923612|4.736829|3.815299|3.553969|13.772389|7.981383|6.874227|7.861801|13.736456|36.858105| |2.073279|3.341334|0.068151|2.540793|2.735580|3.449947|3.409364|4.532213|3.828270|0.108556|3.089648|2.627548|2.733743|4.287826|4.036429|2.957816|4.548597|3.304497|3.298324|3.353958|3.410868|3.390697|3.343895|22.144353|4.927173|4.862890|5.147951|4.286458|4.154049|5.121191|4.545192|5.140802|7.794390|13.062790|7.781114|53.358707| |1.918318|3.041152|0.061343|2.342844|2.462277|2.988265|2.877633|3.840347|3.159735|0.087998|2.666386|2.318555|2.391682|3.817071|3.633717|2.596836|4.100530|2.866996|2.949744|3.038967|3.030222|2.921399|2.849960|20.416161|4.515505|4.629192|4.800114|3.843579|4.069243|4.082396|3.913068|4.679802|7.090387|8.375285|5.421660|21.732688|73.516695| |2.023038|3.235202|0.066562|2.391559|2.682985|3.395943|3.471931|4.491845|3.772379|0.112625|3.007756|2.563041|2.693142|4.240417|3.931785|2.858662|4.366358|3.233247|3.139130|3.242703|3.467094|3.566457|3.439358|22.947455|5.266798|4.885931|5.406800|4.892662|4.079703|4.682004|3.920085|4.101807|5.427756|8.370730|7.090328|21.688331|16.024514|73.516695| |17.649137|12.370832|0.224683|7.231186|5.626401|4.105647|3.728255|5.049183|2.944107|0.073511|2.886932|3.447653|4.262615|9.778801|6.106005|2.418462|4.128385|2.093431|1.899202|1.697182|1.646566|1.762969|1.994842|10.266265|2.479184|2.414876|1.962890|1.493418|1.449585|2.733221|2.805181|2.503830|2.236392|2.203093|2.396803|2.644146|3.211225|3.356117|0.500000| |17.650223|12.356367|0.225621|5.649129|7.136010|4.710798|4.253986|5.243575|2.973976|0.076563|2.790093|3.235141|4.201761|9.731297|5.513601|2.315803|3.866438|2.051258|1.842731|1.667836|1.647633|1.785930|2.007729|10.341744|2.523060|2.406852|1.989872|1.536663|1.455427|2.721653|2.669521|2.385135|2.196658|2.228147|2.452374|2.717941|3.270994|3.513970|0.300648|0.500000| |17.618097|12.305887|0.180081|6.993791|7.006538|4.534847|3.719646|4.668247|2.755602|0.069899|2.578735|2.907755|3.598608|7.625414|4.958000|2.184730|3.677442|1.950305|1.789233|1.623816|1.585846|1.689054|1.879895|10.013402|2.417017|2.349358|1.945334|1.493258|1.443627|2.663418|2.720346|2.507429|2.295185|2.263866|2.414019|2.755449|3.367615|3.494986|0.298729|0.298763|0.500000| |5.642234|12.314201|0.223461|17.683555|7.006845|6.862352|5.490519|8.162832|4.731882|0.106832|4.283688|4.712499|5.893907|10.262783|7.329177|3.417122|5.564471|2.919016|2.650688|2.302599|2.178607|2.309456|2.667005|13.174896|3.086964|3.074941|2.561662|1.944868|1.935030|4.922497|5.632150|4.736888|3.840040|3.606795|3.944267|3.963192|4.713849|4.798718|0.146723|0.126583|0.142547|0.500000| |7.213506|12.387551|0.225544|17.649136|5.593791|4.681454|4.119528|6.110604|3.631209|0.085478|3.599973|4.277702|5.091810|10.171557|7.363744|2.977835|5.082372|2.509061|2.294918|2.003600|1.896158|2.004307|2.299707|11.605116|2.746035|2.740927|2.224315|1.673562|1.669647|3.531699|3.921750|3.431393|2.878009|2.720821|2.939581|3.127894|3.794537|3.853417|0.223406|0.146909|0.173936|0.301405|0.500000| |7.034503|12.319467|0.180011|17.617730|6.907845|5.393924|4.117479|5.514773|3.331641|0.080503|3.083508|3.386637|4.080600|7.794237|5.605576|2.600175|4.353471|2.296508|2.133357|1.905697|1.820068|1.910476|2.143886|11.325092|2.676767|2.666977|2.216079|1.684667|1.676673|3.448217|3.806128|3.547771|3.079686|2.888718|3.016335|3.362047|4.118536|4.107930|0.175937|0.142913|0.208467|0.299003|0.298599|0.500000| |6.977828|12.432374|0.180664|7.091053|17.586768|8.826835|5.393970|5.932932|3.418042|0.086997|2.930510|3.111554|4.009496|7.734768|4.964410|2.433085|3.946617|2.227857|2.032549|1.856505|1.830319|1.960448|2.174786|11.521377|2.766968|2.662730|2.285160|1.787177|1.700605|3.456281|3.416324|3.167202|2.983461|3.015281|3.223510|3.639955|4.362891|4.612962|0.142991|0.171249|0.208024|0.175527|0.144046|0.211248|0.500000| |7.486569|12.510837|0.221121|5.634088|17.610082|8.868090|6.725089|6.745345|3.644665|0.095341|3.116092|3.395744|4.657874|9.620464|5.385395|2.527737|4.064630|2.298453|2.045539|1.865185|1.867213|2.045178|2.293161|11.692469|2.849847|2.677535|2.289746|1.804861|1.670989|3.391031|3.168155|2.817836|2.667283|2.799873|3.140096|3.411057|4.014714|4.463442|0.149581|0.230575|0.183814|0.142714|0.127295|0.144026|0.302105|0.500000| |4.457237|9.024231|0.171007|6.603670|8.758953|17.601612|8.793740|9.728589|5.559594|0.132794|4.187522|4.113493|5.369037|8.742581|6.048011|3.318736|5.122215|3.046749|2.727947|2.441763|2.390041|2.580443|2.932760|14.549454|3.428692|3.309426|2.908750|2.287238|2.178296|6.235818|5.873246|5.056960|4.648182|4.847485|5.530626|5.272922|5.964824|6.490467|0.106994|0.112702|0.116706|0.235384|0.137614|0.164786|0.211277|0.173153|0.500000| |4.197755|7.567138|0.144190|4.717261|9.148786|17.537812|8.901332|7.668135|4.457324|0.119002|3.414612|3.371697|4.388711|7.597841|5.091759|2.784340|4.326125|2.643902|2.362799|2.179902|2.201773|2.410568|2.670159|13.754502|3.314253|3.098827|2.772544|2.235734|2.036798|4.578225|4.022090|3.641512|3.642165|4.048406|4.587377|4.893268|5.536102|6.436960|0.097261|0.114756|0.111888|0.141800|0.105007|0.124559|0.223082|0.219046|0.305808|0.500000| |3.458198|6.097300|0.135622|3.910016|5.522920|8.920877|17.624300|12.668797|7.376757|0.222882|4.801202|4.424645|5.867195|8.914374|6.233994|3.683785|5.401555|3.532813|2.960875|2.690940|2.790315|3.231859|3.741101|16.739069|4.071892|3.662743|3.304971|2.706778|2.350843|6.301916|4.618199|3.798026|3.761392|4.533167|6.168045|5.286869|5.646392|7.313206|0.085692|0.096986|0.087053|0.122801|0.094167|0.096239|0.125129|0.146907|0.202266|0.232637|0.500000| |4.478256|7.951172|0.193372|4.441321|7.025364|8.780990|17.566663|12.535790|5.770209|0.158809|4.480131|4.749140|7.316682|12.994281|6.897395|3.375159|5.149715|3.051477|2.568202|2.307937|2.357626|2.701879|3.152013|14.293964|3.513061|3.194614|2.757486|2.202808|1.964693|4.585970|3.808513|3.148055|2.981891|3.320078|4.121992|3.945910|4.442017|5.322975|0.108311|0.132381|0.106258|0.129865|0.107976|0.105385|0.142140|0.210257|0.173947|0.201018|0.304050|0.500000| |1.914738|3.011858|0.065537|2.373412|2.150757|2.456093|2.699840|4.421659|4.193755|0.108455|4.889823|3.795867|3.105538|4.640072|6.159963|7.140819|12.723201|8.945041|17.745805|8.924304|5.652477|4.952455|5.661692|27.773983|5.732106|6.863743|4.685266|3.066207|3.588595|4.479791|4.666039|4.194093|3.736991|3.661714|3.949547|4.168813|4.987170|5.068280|0.053271|0.050789|0.049896|0.075039|0.065654|0.060449|0.055818|0.055417|0.074057|0.063002|0.076098|0.067537|0.500000| |1.604652|2.480336|0.053110|1.911887|1.827426|2.089453|2.269483|3.479105|3.176745|0.088802|3.302640|2.692177|2.378745|3.671234|4.392782|4.105279|6.921548|5.629543|8.911955|17.752033|8.911912|5.637574|4.954440|47.180726|8.158542|13.169091|7.238213|4.083499|5.671619|3.458445|3.379393|3.313406|3.328785|3.420294|3.486348|4.281304|5.240962|5.324090|0.044100|0.043113|0.042396|0.059270|0.052054|0.049854|0.048108|0.047804|0.062091|0.055535|0.066203|0.057476|0.214327|0.500000| |1.734734|2.686695|0.058832|1.946813|2.045736|2.398786|2.818821|4.178265|3.858274|0.127374|3.686419|2.969397|2.755037|4.219706|4.658091|4.064655|6.112181|5.626717|4.953150|5.636601|8.924407|17.752371|8.893923|47.251359|13.296192|8.192405|7.164887|5.567075|4.046608|3.645955|3.035462|2.741237|2.832711|3.317038|3.883243|4.348689|4.909949|6.184289|0.046826|0.048064|0.045139|0.059518|0.052072|0.050034|0.052429|0.055296|0.067501|0.064996|0.087262|0.073205|0.107594|0.124202|0.500000| |2.150820|3.411489|0.077440|2.446006|2.540557|3.018438|3.822955|6.242632|6.362765|0.225999|6.490532|4.716648|4.130038|5.934783|6.948812|6.912825|9.069509|8.915589|5.651148|4.952821|5.661546|8.941592|17.727110|27.820009|6.889557|5.742561|4.678642|3.578691|3.057898|4.942584|3.883648|3.194469|3.086660|3.556830|4.590374|4.254101|4.721452|5.825743|0.058344|0.059554|0.054624|0.075728|0.065783|0.060897|0.063066|0.068328|0.084112|0.078268|0.115332|0.098690|0.124461|0.107585|0.214995|0.500000| |1.493890|2.290695|0.047977|1.690705|1.803367|2.108870|2.249827|3.083426|2.625775|0.079808|2.354848|2.019136|1.995191|3.184603|3.224348|2.440076|3.874994|2.951965|3.057854|3.626999|4.355140|4.051080|3.302607|38.314002|8.960433|7.531608|12.559133|17.604116|7.180906|2.886586|2.568735|2.615768|3.034782|3.607311|3.489993|5.877059|7.169210|8.834976|0.039752|0.041002|0.040139|0.051455|0.044350|0.045190|0.048226|0.048263|0.060811|0.060077|0.070223|0.057473|0.075014|0.097150|0.118118|0.083794|0.500000| |1.704729|2.661768|0.056375|1.960157|2.098847|2.522609|2.773813|3.864481|3.449670|0.108253|2.999658|2.478286|2.437476|3.798114|3.865523|3.103603|4.748369|3.929852|3.940731|4.649604|5.939781|5.858742|4.606872|43.620030|9.784155|7.841813|12.208420|17.516913|6.831577|3.827456|3.226075|3.179321|3.685101|4.686626|4.843972|7.255362|7.940059|11.297041|0.045269|0.046727|0.045339|0.060537|0.051183|0.051664|0.055265|0.055822|0.073034|0.071047|0.088484|0.069545|0.092496|0.115653|0.167245|0.113892|0.300882|0.500000| |1.512019|2.314923|0.049165|1.688723|1.808400|2.110598|2.327740|3.232431|2.790659|0.087462|2.537571|2.156657|2.105578|3.340254|3.440463|2.660076|4.189235|3.306595|3.316424|3.984803|5.331256|5.287773|3.960926|49.099710|13.917785|8.396624|12.435244|17.675049|5.649207|2.916709|2.532904|2.474208|2.749834|3.266684|3.408971|4.902242|5.740865|7.380755|0.040386|0.041801|0.040223|0.051236|0.044592|0.044608|0.047680|0.048852|0.059927|0.059474|0.072924|0.060196|0.078814|0.101973|0.171504|0.100881|0.301721|0.298628|0.500000| |1.619110|2.521387|0.052858|1.930654|1.933747|2.269831|2.393483|3.460981|3.087646|0.088627|2.854615|2.367365|2.251016|3.514773|3.766945|3.118645|4.972644|3.937499|4.644387|5.961722|5.963383|4.625148|3.933847|43.778223|7.853347|9.833543|12.212744|6.813039|17.498880|3.659159|3.448797|3.675116|4.308879|4.770395|4.298123|6.865888|8.626920|8.375355|0.043568|0.043567|0.043397|0.060123|0.051036|0.051335|0.051710|0.050407|0.068137|0.062443|0.072393|0.059567|0.114904|0.172818|0.114461|0.092192|0.171003|0.196632|0.139806|0.500000| |1.443069|2.211802|0.046039|1.675802|1.709138|1.973603|2.056775|2.892270|2.475758|0.071842|2.291876|1.965483|1.901806|3.032634|3.173854|2.446869|3.979329|2.954742|3.314307|4.079635|4.358431|3.613067|3.054285|38.306185|7.529036|8.951402|12.564673|7.200819|17.603426|2.825564|2.668433|2.844991|3.324966|3.654808|3.300567|5.719224|7.649888|7.391747|0.038748|0.039087|0.038964|0.051296|0.044309|0.045052|0.046137|0.045066|0.058315|0.055254|0.062278|0.052102|0.084109|0.119865|0.096351|0.074886|0.222388|0.172356|0.146992|0.300425|0.500000| |1.419884|2.171947|0.045562|1.657909|1.646850|1.883290|1.984219|2.867108|2.489350|0.071348|2.395755|2.039753|1.919303|3.043662|3.325364|2.664101|4.412520|3.297031|3.955649|5.295412|5.313802|3.964391|3.304100|49.036555|8.394158|13.911866|12.433882|5.648892|17.674922|2.795406|2.693247|2.825875|3.134948|3.309970|3.099900|4.719832|6.148378|5.957177|0.038503|0.038353|0.038129|0.050790|0.044386|0.044246|0.044184|0.043359|0.055726|0.051772|0.059128|0.050456|0.100688|0.173537|0.101303|0.078550|0.146953|0.139879|0.127357|0.298847|0.301621|0.500000| |3.070672|5.353174|0.115878|4.689914|3.672578|4.364306|4.498487|8.134098|6.973980|0.141351|6.987409|5.971701|5.455261|7.668675|8.603633|5.958051|9.188666|4.841034|4.441427|3.522430|3.116330|3.226193|3.901552|17.614620|3.958459|4.115442|3.362977|2.468218|2.587734|8.932358|17.725781|8.932331|5.644304|5.003835|5.674800|4.924540|5.719100|5.728251|0.084328|0.077368|0.078801|0.173475|0.124776|0.112134|0.093308|0.087362|0.147192|0.101906|0.115410|0.103287|0.130892|0.088537|0.078290|0.103496|0.063488|0.078064|0.063608|0.083653|0.066116|0.068136|0.500000| |2.519911|4.161388|0.083874|3.677262|3.023649|3.504300|3.280419|4.998692|4.068299|0.096489|3.791105|3.376129|3.303396|5.144695|5.322600|3.664141|6.023374|3.511159|3.642983|3.194433|2.804323|2.727478|3.001158|16.873098|3.709362|4.042847|3.385261|2.450707|2.765374|5.617607|8.926348|17.728467|8.933157|5.691652|4.953687|5.670222|7.154794|6.052091|0.068284|0.063531|0.068179|0.126184|0.095554|0.098619|0.082688|0.072401|0.120417|0.088751|0.088954|0.077423|0.109025|0.085588|0.067389|0.077464|0.065074|0.076463|0.061437|0.091142|0.072445|0.073096|0.215460|0.500000| 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