Version2.0 2020-01-10T08:46:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@H](C(C)C)Oc4ccccc4)C C39677076 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@H](C(C)C)Oc4ccccc4)C C01[X(C30H42N3O3)] 228 C1 624 CC([C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(C)ccc1C)Oc1ccccc1)C CC([C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(C)ccc1C)Oc1ccccc1)C CC(C)[C@H](Oc1ccccc1)C(=O)N2C[C@@H](C(=O)NCCc3cc(C)ccc3C)C4(CC[NH2+]CC4)C2 InChIKey=XCYQSQFQHNXJNI-SVBPBHIXSA-O InChI=1S/C30H41N3O3/c1-21(2)27(36-25-8-6-5-7-9-25)29(35)33-19-26(30(20-33)13-16-31-17-14-30)28(34)32-15-12-24-18-22(3)10-11-23(24)4/h5-11,18,21,26-27,31H,12-17,19-20H2,1-4H3,(H,32,34)/p+1/t26-,27-/m0/s1 InChI=1/C30H41N3O3/c1-21(2)27(36-25-8-6-5-7-9-25)29(35)33-19-26(30(20-33)13-16-31-17-14-30)28(34)32-15-12-24-18-22(3)10-11-23(24)4/h5-11,18,21,26-27,31H,12-17,19-20H2,1-4H3,(H,32,34)/p+1/t26-,27-/m0/s1/fC30H42N3O3/h31-32H/q+1 Cc1ccc(c(c1)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@H](C(C)C)Oc4ccccc4)C C01[X(C30H42N3O3)] 228 C01 624 CC([C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(C)ccc1C)Oc1ccccc1)C CC([C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NCCc1cc(C)ccc1C)Oc1ccccc1)C CC(C)[C@H](Oc1ccccc1)C(=O)N2C[C@@H](C(=O)NCCc3cc(C)ccc3C)C4(CC[NH2]CC4)C2 InChIKey=FKTLFHOXZUFZHP-SVBPBHIXSA-N InChI=1S/C30H42N3O3/c1-21(2)27(36-25-8-6-5-7-9-25)29(35)33-19-26(30(20-33)13-16-31-17-14-30)28(34)32-15-12-24-18-22(3)10-11-23(24)4/h5-11,18,21,26-27H,12-17,19-20,31H2,1-4H3,(H,32,34)/t26-,27-/m0/s1 InChI=1/C30H42N3O3/c1-21(2)27(36-25-8-6-5-7-9-25)29(35)33-19-26(30(20-33)13-16-31-17-14-30)28(34)32-15-12-24-18-22(3)10-11-23(24)4/h5-11,18,21,26-27H,12-17,19-20,31H2,1-4H3,(H,32,34)/t26-,27-/m0/s1/f/h32H 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1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13604.0914 32527.0070 40342.2292 0.99995 -0.00838 0.00608 0.00830 0.99987 0.01355 -0.00620 -0.01350 0.99989 1 0.00637 0.00266 0.00215 0.13266 0.05548 0.04474 7.20 17.28 18.19 26.55 31.08 41.29 58.74 71.42 75.53 84.16 90.90 94.18 109.80 123.22 138.07 160.25 212.22 215.61 226.88 234.11 257.37 272.38 310.37 325.81 338.08 348.81 355.36 382.48 394.15 420.76 428.58 443.03 454.51 463.65 488.22 511.02 517.29 546.15 551.03 598.86 619.15 631.79 665.86 671.61 674.37 687.46 698.30 710.80 723.08 734.63 746.32 768.12 801.77 837.16 876.08 891.01 933.20 964.65 973.08 1007.16 1019.97 1109.03 1122.27 1125.76 1147.33 1170.32 1182.89 1202.50 1204.06 1245.61 1254.46 1262.02 1280.76 1303.26 1332.19 1349.84 1356.98 1361.76 1371.43 1376.78 1411.76 1445.35 1453.53 1464.13 1474.20 1495.43 1509.50 1509.62 1527.83 1552.33 1562.71 1565.68 1568.76 1578.96 1592.35 1602.93 1605.71 1610.90 1616.79 1621.06 1622.35 1628.34 1633.75 1643.67 1668.54 1682.32 1688.37 1689.56 1690.48 1700.82 1745.96 1779.14 1783.14 1787.40 1803.24 1807.32 1841.17 1848.05 1860.27 1881.57 1883.49 1900.67 1913.78 1916.14 1916.45 1938.71 1944.50 1956.21 1965.47 1983.76 1994.07 2036.25 2042.47 2071.22 2082.62 2085.65 2090.84 2094.51 2102.33 2102.73 2105.33 2118.17 2140.42 2162.76 2185.25 2200.12 2211.80 2225.81 2228.20 2237.52 2240.95 2244.47 2253.11 2258.68 2259.23 2266.46 2267.23 2276.79 2290.99 2326.69 2345.58 2348.31 2349.46 2353.31 2359.19 2360.78 2362.69 2367.35 2368.69 2372.50 2374.41 2383.63 2389.49 2390.65 2402.70 2411.06 2420.93 2431.60 2481.49 2549.26 2569.32 2594.93 2623.59 2626.43 2738.33 2801.55 4591.89 4600.36 4602.26 4604.71 4612.39 4626.64 4626.86 4635.46 4655.77 4669.32 4673.38 4683.36 4686.43 4688.30 4690.21 4692.58 4709.70 4711.93 4712.44 4719.04 4720.19 4722.77 4726.79 4738.82 4742.81 4757.00 4764.24 4773.01 4796.73 4798.13 4799.86 4808.35 4821.49 4836.85 4849.48 4850.08 4864.89 4878.34 4889.52 5265.41 5364.74 5573.85 0.736648 0.770649 0.771593 0.663387 -1547.547270 -1547.513268 -1547.512324 -1547.620530 3.629247D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE Cc1ccc(c(c1)CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@H](C(C)C)Oc4ccccc4)C C39677076 RHF 6-31G(d) (6D,10F) C1 492.322617 |X|Y|Z| 78.049192 43.057357 127.875024 75.462960 29 6 7 8 25 3 1 |36.858105| |12.608181|36.858105| |7.547551|13.719220|36.858105| |5.017742|7.913240|13.783040|36.858105| |4.396206|6.749334|7.864025|13.700618|36.858105| |4.985524|7.823944|6.861686|7.971517|13.642466|36.858105| |7.534858|13.738997|8.026984|6.965070|7.912884|13.693908|36.858105| |3.790818|5.011706|4.439455|5.012098|7.483869|12.564685|7.613155|36.858105| |3.362947|4.200280|3.782424|4.175671|5.641311|7.553622|5.759570|12.422930|36.858105| |2.733542|3.223435|2.947804|3.208452|4.080607|4.974333|4.131747|7.630547|13.048971|53.358707| |2.358971|2.762920|2.624204|2.922286|3.675115|4.118189|3.383000|5.791177|7.748628|19.367055|36.858105| |2.313681|2.752319|2.701475|3.110210|3.962757|4.157732|3.301514|5.506882|6.804087|11.568514|15.750650|73.516695| |2.038512|2.310430|2.188933|2.381510|2.866021|3.172025|2.750013|4.167727|4.995783|10.695964|12.476745|14.155621|36.858105| |2.041682|2.303799|2.165812|2.342044|2.817571|3.158831|2.757082|4.206530|4.657350|9.468053|9.050307|11.381237|17.498146|0.500000| |1.952581|2.161133|2.023070|2.147993|2.512969|2.805269|2.538358|3.528922|4.346063|8.742710|7.336760|9.409083|12.387363|0.248392|36.858105| |1.702084|1.861649|1.763364|1.869099|2.146711|2.339166|2.137860|2.836180|3.295483|5.964883|5.103726|7.449050|8.144471|0.193604|13.063497|53.358707| |1.629620|1.796432|1.725182|1.852634|2.135083|2.281788|2.052390|2.757895|3.094979|5.453467|5.010049|7.818345|8.073978|0.201643|7.871534|17.842943|36.858105| |1.784121|2.007398|1.944091|2.129035|2.508474|2.659002|2.318963|3.288334|3.755428|6.810986|7.276437|11.731937|12.317120|0.248408|7.845594|11.023700|12.384939|36.858105| |1.740788|1.970847|1.934084|2.145595|2.534497|2.628133|2.262229|3.214258|3.425891|5.789188|5.912315|10.898365|7.485201|0.200545|5.013427|6.979205|7.416097|12.383481|36.858105| |1.550080|1.737941|1.727366|1.911907|2.203910|2.231981|1.950307|2.610831|2.757307|4.402987|4.159602|7.963619|4.861504|0.128793|3.830352|5.664209|5.903214|7.440751|12.513245|36.858105| |1.536008|1.725411|1.731474|1.925936|2.204587|2.197785|1.918993|2.521778|2.732943|4.268936|4.018712|8.064202|4.399789|0.109170|3.630358|5.244575|5.019693|6.482391|7.730618|12.660001|53.358707| |1.429749|1.595343|1.608867|1.782401|2.011226|1.989351|1.754490|2.239897|2.398465|3.663980|3.316296|6.564161|3.581160|0.091081|3.083663|4.506384|4.177434|4.902536|5.691418|9.157587|25.691828|0.500000| |1.619785|1.838632|1.861994|2.099384|2.421598|2.377475|2.045851|2.717325|2.937186|4.495660|4.274390|9.167835|4.347855|0.107279|3.496314|4.794830|4.351441|5.908326|7.169902|9.208293|25.648544|0.327431|0.500000| |1.546303|1.726183|1.715836|1.887377|2.153090|2.179450|1.924222|2.510146|2.829791|4.522908|4.251236|8.127003|4.847078|0.113087|4.281353|6.375884|5.951025|7.426259|6.486989|7.628725|17.221418|0.254406|0.255638|36.858105| |1.734389|1.952077|1.916062|2.108379|2.454038|2.539775|2.219545|3.026166|3.565908|6.068223|6.176297|11.294946|7.429167|0.152461|6.210661|8.513366|7.532620|12.305575|7.519437|6.470943|10.484927|0.157796|0.198204|12.505799|36.858105| |1.571271|1.690874|1.597352|1.671749|1.886947|2.052291|1.916255|2.425025|2.760103|4.733571|3.791605|5.747974|5.219405|0.136280|7.521565|19.026732|7.888283|5.224833|3.874032|3.388248|4.311340|0.078730|0.080308|3.771516|4.500682|36.858105| |1.440717|1.544245|1.468936|1.538051|1.722617|1.852066|1.732503|2.157516|2.395311|3.984032|3.213812|5.053773|4.266101|0.115329|5.303387|11.662615|7.153164|4.604894|3.664509|3.372537|4.227000|0.078858|0.077250|3.626668|4.011523|15.887064|73.516695| |1.600346|1.700291|1.589841|1.640840|1.834307|2.015385|1.920252|2.351015|2.702902|4.528163|3.398674|5.132845|4.272990|0.112166|6.307779|10.378470|4.971853|3.943451|3.071717|2.708550|3.540571|0.065599|0.067774|3.048799|3.613420|12.396867|14.201050|36.858105| |1.739889|1.853831|1.721463|1.773188|1.991885|2.211987|2.110723|2.599777|3.074949|5.229706|3.806135|5.612770|4.663107|0.118913|7.453263|10.012433|4.715865|4.037544|3.096166|2.675057|3.543659|0.065081|0.068980|3.059333|3.759796|8.760167|10.397364|17.559633|0.500000| |1.459584|1.539191|1.451305|1.493681|1.647064|1.782943|1.709907|2.028248|2.317427|3.726274|2.806017|4.408536|3.345538|0.086839|4.480970|7.212240|3.973039|3.261956|2.624956|2.417071|3.248882|0.061427|0.062038|2.825807|3.190664|7.547558|11.539637|12.432089|0.246437|36.858105| |1.450298|1.540461|1.467081|1.521325|1.676919|1.793047|1.703887|2.027017|2.350167|3.751837|2.888624|4.633576|3.383200|0.084447|4.437234|7.064319|4.038127|3.429016|2.713275|2.545810|3.550259|0.067234|0.067602|3.215944|3.599950|6.380492|9.912964|7.541308|0.190852|12.427477|36.858105| |1.450573|1.509950|1.415281|1.439604|1.570937|1.706989|1.664808|1.912853|2.175675|3.402119|2.477726|3.915970|2.820078|0.074209|3.639993|5.317618|3.079121|2.673459|2.221394|2.047615|2.765238|0.052687|0.053676|2.349081|2.633486|4.908209|7.756831|7.563926|0.192590|12.446079|7.555434|36.858105| |1.570131|1.650789|1.532800|1.568164|1.743340|1.927836|1.860587|2.237787|2.498796|4.103990|3.003673|4.560181|3.683259|0.102686|4.941959|7.611540|4.134413|3.347399|2.757409|2.436353|3.117793|0.058336|0.060042|2.581415|2.980929|7.966091|11.664545|13.540751|0.259164|7.998124|5.089041|6.683832|73.516695| |1.695203|1.783491|1.638591|1.671416|1.871093|2.101806|2.034560|2.477774|2.728356|4.533963|3.234533|4.809357|3.961358|0.116127|5.150234|7.238305|4.066169|3.408222|2.861940|2.458912|3.086406|0.057347|0.060077|2.492324|2.919309|6.397215|9.421072|8.046496|0.205739|5.212874|3.904337|4.723014|24.781758|36.858105| |1.868033|1.949130|1.762370|1.776422|1.985576|2.271631|2.239036|2.674771|2.962861|4.845416|3.265603|4.812999|3.762065|0.109417|4.798605|5.993104|3.449293|3.103467|2.636560|2.250875|2.866140|0.053236|0.056771|2.298865|2.718286|4.774429|7.038203|6.068793|0.184851|4.368228|3.472105|4.343588|14.196221|13.733360|36.858105| |2.020265|2.099770|1.872890|1.874576|2.100968|2.445262|2.437785|2.898401|3.095888|4.963450|3.248943|4.795403|3.608760|0.109439|4.213762|5.105665|3.129174|2.925059|2.577250|2.179422|2.744770|0.050996|0.054932|2.148103|2.526913|3.818454|5.855974|4.336217|0.130319|3.337799|2.813038|3.303640|9.287224|7.949458|13.743515|36.858105| |1.943011|2.034260|1.829326|1.845751|2.077605|2.400983|2.361621|2.867459|2.944326|4.727312|3.198118|4.769188|3.621116|0.115881|3.962442|4.983942|3.211380|2.980958|2.712545|2.281034|2.803402|0.052120|0.055908|2.149794|2.498272|3.674108|5.842581|3.845228|0.109777|2.993463|2.560264|2.862092|8.185374|6.874742|7.918771|13.733745|36.858105| |1.749082|1.845979|1.690142|1.726650|1.944674|2.199543|2.122392|2.623365|2.709172|4.427316|3.161747|4.756160|3.787659|0.123466|4.145868|5.625590|3.683783|3.240853|2.952763|2.493698|3.004026|0.055885|0.058967|2.302621|2.647788|4.275818|7.003741|4.231324|0.113751|3.230715|2.720830|2.967024|9.304582|7.956056|6.871004|7.946764|13.744054|36.858105| |1.646918|1.740673|1.607315|1.648917|1.852057|2.070395|1.986842|2.454040|2.618410|4.343157|3.178449|4.775448|3.969787|0.123598|4.702166|6.898020|4.248094|3.492991|3.046772|2.605494|3.168157|0.058925|0.061307|2.493427|2.872741|5.784816|9.380574|5.791656|0.144778|4.135812|3.303241|3.649833|14.254723|13.750310|7.912644|6.865003|7.914899|13.736752|36.858105| |3.258232|4.393260|5.015464|7.584100|12.579044|7.471014|4.993273|6.340068|5.195151|5.547943|3.982101|8.258265|3.063852|0.082863|2.591955|3.048608|2.286182|2.761731|2.877217|2.511909|3.449451|0.063922|0.079267|2.414534|2.727338|1.942471|3.171784|1.849181|0.055302|1.662749|1.710030|1.563077|3.093916|1.852558|1.926267|2.011760|2.012728|1.926077|1.850888|36.858105| |17.539080|8.845214|6.499385|4.532681|3.951829|4.345372|6.037042|3.408229|2.963185|3.369737|2.172109|3.798940|1.902774|0.053431|1.815122|2.177422|1.542597|1.679867|1.656239|1.482382|1.987728|0.037908|0.042689|1.459555|1.623289|1.483238|2.434247|1.504460|0.045070|1.373962|1.359959|1.364177|2.641880|1.607344|1.761106|1.915214|1.865025|1.683649|1.575589|3.024004|0.500000| |17.575453|8.830676|5.582524|4.179123|3.938225|4.719109|7.188280|3.820448|3.463454|3.876076|2.414043|4.127354|2.103135|0.058686|2.042147|2.409422|1.676270|1.820336|1.757532|1.556315|2.090682|0.039624|0.044724|1.557858|1.758957|1.641477|2.663205|1.688582|0.051253|1.533661|1.512752|1.534150|2.961862|1.810033|2.022516|2.206282|2.098148|1.862090|1.746853|3.007408|0.302028|0.500000| |17.561191|8.838622|6.897763|4.647262|3.935688|4.220451|5.741718|3.294866|3.048786|3.411197|2.190453|3.847878|1.902929|0.052455|1.837517|2.193940|1.541996|1.683715|1.637069|1.471428|2.001900|0.038187|0.043086|1.486395|1.657115|1.494529|2.441449|1.527111|0.046086|1.406471|1.405736|1.403775|2.652564|1.595128|1.750963|1.869130|1.787076|1.621058|1.541614|3.010695|0.302344|0.301775|0.500000| |6.986817|8.905918|17.699595|8.948121|5.622222|4.944932|5.676614|3.549267|3.136828|3.452118|2.294457|4.203247|1.952119|0.053622|1.822000|2.188444|1.575143|1.758155|1.751653|1.584765|2.169963|0.041461|0.047466|1.579837|1.743508|1.469146|2.415812|1.466141|0.043883|1.350222|1.366338|1.322745|2.518964|1.506047|1.614683|1.708191|1.668251|1.547727|1.476890|4.105020|0.179053|0.140769|0.200883|0.500000| |4.099258|5.646090|8.968388|17.704368|8.930967|5.659058|4.998674|4.076431|3.544264|3.865833|2.667470|5.138150|2.205920|0.060032|1.988905|2.388500|1.755182|2.015349|2.050733|1.857436|2.568036|0.048879|0.057400|1.834936|2.017916|1.574357|2.592992|1.537926|0.045869|1.411399|1.445513|1.357881|2.607331|1.551201|1.633383|1.709986|1.689900|1.597493|1.534455|7.080602|0.106465|0.096256|0.110116|0.217410|0.500000| |7.012080|8.954885|5.685226|4.996229|5.640165|8.943063|17.674203|7.146229|5.708594|5.825488|3.393797|5.669963|2.817612|0.079329|2.652753|3.018623|2.098125|2.335371|2.248570|1.925818|2.557165|0.047652|0.055043|1.900226|2.206259|2.001060|3.198669|2.029153|0.062301|1.792069|1.764610|1.756511|3.530270|2.198798|2.466454|2.735851|2.622836|2.304383|2.135653|4.073202|0.159105|0.220603|0.147350|0.124527|0.108240|0.500000| |3.808964|4.759596|4.007856|4.234029|5.647460|8.897571|7.232220|17.537057|8.873718|9.461089|5.177343|8.223464|4.047712|0.118671|3.519803|3.863180|2.726920|3.147561|3.065114|2.485782|3.205784|0.058410|0.069235|2.351863|2.818895|2.459514|3.888102|2.407281|0.073830|2.053551|2.013941|1.948538|4.156455|2.647477|2.907394|3.262752|3.259384|2.898553|2.640597|4.799750|0.096718|0.110456|0.090066|0.091074|0.097191|0.220505|0.500000| |3.246490|4.182403|3.953294|4.676593|7.027485|8.832487|5.670619|17.587978|8.887978|9.575525|6.224212|11.290524|4.427977|0.126249|3.532974|3.939499|2.910967|3.568159|3.647839|2.914841|3.778898|0.068001|0.084145|2.690049|3.224495|2.443315|3.903098|2.310220|0.069907|1.992857|1.999776|1.854178|3.898547|2.418243|2.544970|2.736827|2.778864|2.610392|2.442787|7.225587|0.083526|0.089266|0.079751|0.090051|0.110640|0.145409|0.303798|0.500000| |3.186012|4.017732|3.830184|4.414438|5.993785|6.908344|5.139970|8.803368|17.657398|12.568235|7.316019|13.427846|4.659733|0.115965|4.027159|4.274501|3.004125|3.726295|3.420891|2.812394|3.916061|0.070101|0.087672|2.982532|3.740470|2.626736|4.088856|2.549264|0.079928|2.232968|2.316736|2.088412|4.127617|2.474575|2.634756|2.689378|2.565694|2.413447|2.373645|5.911801|0.077927|0.088780|0.082302|0.088826|0.106380|0.132687|0.173686|0.210601|0.500000| |3.677372|4.468656|3.839403|3.998127|5.021897|6.864284|6.136906|8.815511|17.598116|12.575310|5.828620|9.013090|4.270757|0.111326|4.050443|4.212662|2.824911|3.280891|2.947784|2.434690|3.302693|0.059949|0.071437|2.551314|3.162817|2.666255|4.098297|2.699720|0.086568|2.331362|2.349185|2.235762|4.467720|2.743386|3.067901|3.210342|2.954733|2.657871|2.574519|4.329391|0.087695|0.108543|0.092858|0.088987|0.093522|0.180507|0.213349|0.173970|0.303515|0.500000| |2.674626|3.061166|2.740701|2.895559|3.559654|4.399461|3.898491|6.400001|9.009837|26.055333|9.446972|10.882631|7.539205|0.200843|7.097596|6.346236|4.049993|4.700388|3.930668|3.021577|3.915781|0.069354|0.082199|3.075179|4.051151|3.767494|5.532854|3.703163|0.121217|2.952344|2.884825|2.712927|6.070513|3.905015|4.318137|4.494986|4.171438|3.786722|3.678773|3.455171|0.067615|0.078972|0.067856|0.066166|0.071259|0.117453|0.185146|0.159653|0.181276|0.226567|0.500000| |1.983010|2.195112|2.061633|2.186715|2.542701|2.818503|2.560471|3.466849|4.481795|8.641153|6.942888|9.357095|8.733573|0.175095|17.552080|12.267113|6.115617|6.512196|4.348750|3.499326|4.780230|0.083542|0.095411|4.293885|6.321992|6.300952|8.195285|5.923166|0.209366|4.561847|4.845382|3.780968|7.932471|4.419505|4.316220|3.754219|3.411592|3.457937|3.882737|2.610451|0.050754|0.057572|0.052299|0.051661|0.056324|0.073860|0.093748|0.094465|0.119320|0.118949|0.184750|0.500000| |2.034308|2.228785|2.050531|2.144962|2.499094|2.856530|2.639359|3.613784|4.379630|8.712019|6.269341|8.078682|8.734500|0.225274|17.640069|12.290477|5.963574|5.697241|4.179746|3.265234|4.154154|0.073671|0.082445|3.454728|4.612775|6.863240|8.734207|6.651079|0.231092|4.463986|4.111818|3.790426|10.061934|6.506478|6.390448|5.513488|4.962432|5.005690|5.635970|2.512048|0.052532|0.059852|0.052836|0.051223|0.054668|0.078370|0.104058|0.097919|0.107719|0.117437|0.225141|0.301890|0.500000| |1.505061|1.649463|1.596107|1.711599|1.947408|2.052172|1.858824|2.419293|2.697629|4.553863|4.070179|6.689732|5.718396|0.143440|5.830131|12.442161|17.621062|8.594841|6.192471|5.898597|7.187986|0.126246|0.121076|6.643432|7.107947|7.198884|13.365150|4.619002|0.117874|3.986793|4.217827|3.040411|6.776636|3.580875|3.037040|2.734180|2.783834|3.180133|3.693683|2.091190|0.039664|0.042856|0.039825|0.040786|0.045429|0.052499|0.066044|0.070678|0.074039|0.069212|0.092957|0.140883|0.129236|0.500000| |1.598441|1.755155|1.680827|1.798718|2.068632|2.218631|2.005002|2.682582|2.909181|5.044123|4.475487|7.011179|6.845018|0.203448|6.338040|12.343883|17.532164|8.734061|7.123544|5.667358|6.035771|0.105623|0.108094|4.748362|5.505294|6.884848|12.197367|4.541413|0.117057|3.608862|3.491329|2.868387|7.264995|4.184436|3.472820|3.226377|3.455080|4.142446|4.719437|2.206504|0.042326|0.045710|0.041818|0.042674|0.047302|0.057186|0.075001|0.079247|0.077198|0.073841|0.105944|0.135670|0.150674|0.303734|0.500000| |1.721052|1.935610|1.884535|2.071662|2.437280|2.559458|2.226289|3.143102|3.240134|5.454812|5.211294|9.025607|6.753228|0.213580|4.724265|6.695508|6.989419|8.788005|17.566643|8.992445|7.645152|0.127083|0.145108|4.882897|5.482945|3.849063|6.590582|3.047986|0.084182|2.568297|2.575819|2.184590|5.018612|2.997171|2.731250|2.713291|2.944778|3.276813|3.313733|2.719637|0.045794|0.048445|0.044704|0.047451|0.054765|0.062053|0.085657|0.099176|0.087288|0.078241|0.106627|0.109882|0.115220|0.157984|0.221713|0.500000| |1.870603|2.152402|2.130489|2.406976|2.899911|2.967907|2.487315|3.669080|3.847915|6.343446|6.711802|14.026419|7.016519|0.186202|4.571399|5.868597|5.480403|8.850795|17.592550|8.918406|9.469878|0.145545|0.210755|5.648073|6.681168|3.337179|5.528032|2.774182|0.079360|2.391432|2.479496|2.069452|4.464315|2.633479|2.497061|2.483253|2.597685|2.745834|2.767263|3.403763|0.049345|0.052069|0.048711|0.053187|0.063923|0.067707|0.094513|0.120225|0.108594|0.089148|0.114289|0.114256|0.108564|0.130550|0.145450|0.303450|0.500000| |1.452451|1.610378|1.591830|1.740700|1.983161|2.024216|1.797862|2.349829|2.487641|3.978737|3.631499|6.645471|4.412988|0.118774|3.717140|5.860209|6.366902|6.633814|8.713464|17.618374|12.435390|0.222233|0.181027|7.053165|5.745484|3.620924|6.676394|2.821616|0.075587|2.538901|2.662633|2.121131|4.518921|2.528355|2.267312|2.169976|2.278528|2.539523|2.703237|2.214710|0.038666|0.040692|0.038380|0.040781|0.046932|0.049719|0.063078|0.071552|0.069721|0.062154|0.077731|0.093573|0.088652|0.194084|0.175275|0.212689|0.173018|0.500000| |1.517984|1.703686|1.706296|1.897184|2.176930|2.176873|1.899258|2.511636|2.578210|3.996199|3.661810|7.142177|4.047504|0.111234|3.231197|4.653245|4.524852|5.440838|8.774803|17.626748|12.354078|0.224021|0.222091|5.588805|4.861955|2.879675|5.129162|2.371132|0.065183|2.134118|2.225420|1.841282|3.870652|2.217864|2.051768|2.015892|2.127642|2.310255|2.367353|2.508645|0.040569|0.042099|0.039998|0.043613|0.051568|0.051772|0.066427|0.078783|0.073111|0.063234|0.076099|0.082675|0.079026|0.124533|0.126595|0.212093|0.216325|0.301016|0.500000| |1.448478|1.600144|1.582136|1.721635|1.945377|1.983885|1.776330|2.274488|2.536506|4.058355|3.683907|6.728391|4.389914|0.106043|4.104616|6.617935|6.394852|6.596158|5.736190|7.045591|12.451854|0.223047|0.181164|17.633513|8.699119|4.078381|7.284677|3.197273|0.086477|3.009447|3.434863|2.450915|4.798989|2.559077|2.311453|2.136133|2.146317|2.337547|2.575665|2.147203|0.038125|0.040698|0.038695|0.040656|0.046453|0.049113|0.060184|0.067136|0.072884|0.064520|0.078751|0.112015|0.093227|0.229234|0.141792|0.129068|0.131888|0.215396|0.144768|0.500000| |1.512992|1.686432|1.689041|1.859053|2.098526|2.098684|1.860758|2.368142|2.682113|4.153014|3.772281|7.353584|4.037079|0.095050|3.703556|5.332358|4.560696|5.435690|4.877024|5.590589|12.358100|0.223990|0.222390|17.627081|8.787751|3.288558|5.613494|2.776205|0.078118|2.647583|3.079320|2.241607|4.188615|2.259387|2.113835|1.975234|1.956244|2.067773|2.229898|2.354553|0.039591|0.042190|0.040682|0.043421|0.050576|0.050740|0.061156|0.069804|0.079993|0.067889|0.078040|0.107444|0.085043|0.139573|0.104760|0.107594|0.127003|0.144735|0.126488|0.301386|0.500000| |1.861514|2.125038|2.103305|2.348592|2.768614|2.829753|2.424927|3.371683|4.065798|6.746193|7.125060|14.909611|6.952951|0.143218|5.525966|6.789541|5.526770|8.785112|6.640005|5.604047|9.396976|0.144871|0.208236|8.931423|17.628853|3.755231|5.928420|3.198151|0.094831|2.844919|3.185565|2.428677|4.790146|2.683162|2.573700|2.434817|2.392832|2.476435|2.624515|3.139488|0.048111|0.052113|0.049450|0.052843|0.062485|0.066067|0.084653|0.100429|0.123833|0.097796|0.118461|0.163891|0.119223|0.141629|0.122973|0.136716|0.191233|0.131513|0.125881|0.173158|0.217933|0.500000| |1.706561|1.900737|1.851743|2.010249|2.312107|2.417465|2.152315|2.849963|3.432363|5.836971|5.493346|9.359646|6.659912|0.137464|6.834084|9.610914|7.195302|8.752079|5.489522|4.890639|7.645207|0.127237|0.144603|9.026322|17.578763|5.131162|7.838700|4.165066|0.121861|3.732148|4.430605|3.012221|5.825315|3.112176|2.889238|2.613262|2.525360|2.667237|2.964573|2.505541|0.044198|0.048396|0.045506|0.046986|0.053275|0.059967|0.074525|0.081959|0.099256|0.087296|0.111606|0.214109|0.137295|0.196890|0.142527|0.123194|0.137203|0.129919|0.107600|0.214161|0.212310|0.303305|0.500000| |1.364617|1.436427|1.360004|1.401090|1.539974|1.656992|1.588193|1.876642|2.105247|3.356633|2.556049|4.069614|3.061628|0.081087|3.901112|6.546189|3.844670|3.075775|2.537524|2.380707|3.165833|0.060497|0.059862|2.718485|2.971778|7.066689|12.832090|9.016355|0.175656|17.579812|8.887265|8.883146|13.107306|4.853649|3.912888|3.079136|2.852618|3.165208|4.095425|1.562007|0.035895|0.039697|0.036516|0.035258|0.036925|0.046099|0.052890|0.051660|0.056448|0.058356|0.073342|0.106547|0.107371|0.110412|0.099775|0.069748|0.063611|0.070678|0.058645|0.082101|0.070428|0.073036|0.094268|0.500000| |1.549245|1.650234|1.568306|1.625861|1.795889|1.926611|1.830507|2.178821|2.582516|4.122119|3.133784|4.997109|3.574896|0.087206|4.787612|6.963197|3.916027|3.510579|2.742079|2.532467|3.582215|0.067218|0.069321|3.265448|3.785700|5.661101|8.312954|6.833043|0.204032|8.740777|17.507866|6.785965|8.298904|3.780754|3.529489|2.876460|2.571570|2.664902|3.158333|1.823216|0.040080|0.044961|0.041795|0.040464|0.042777|0.052659|0.059728|0.059154|0.071081|0.072379|0.087743|0.156656|0.122409|0.109896|0.092836|0.071441|0.070789|0.072020|0.061550|0.093636|0.088033|0.095323|0.132651|0.173077|0.500000| |1.358411|1.434231|1.371578|1.417711|1.547998|1.642986|1.570536|1.830554|2.098829|3.270731|2.502325|4.091789|2.850305|0.072101|3.549321|5.494418|3.353759|2.917525|2.389801|2.289924|3.222388|0.062044|0.061553|2.876228|3.100994|4.793680|8.024964|5.494843|0.141026|8.818170|17.575337|6.984057|7.469195|3.305925|2.994987|2.477913|2.268331|2.396196|2.853878|1.576549|0.035464|0.039276|0.036762|0.035697|0.037597|0.045039|0.050447|0.050148|0.057858|0.058530|0.069287|0.106874|0.092766|0.098809|0.082478|0.063173|0.061200|0.066650|0.056320|0.085571|0.078144|0.077548|0.103240|0.211506|0.302419|0.500000| |1.430355|1.530666|1.467194|1.534497|1.699859|1.804852|1.695852|2.051471|2.368327|3.817084|3.036383|4.920439|3.649701|0.090041|4.680375|8.078079|4.769990|3.907476|3.037260|2.893437|4.061812|0.076756|0.075841|3.800278|4.178992|7.146938|11.633841|6.779637|0.166652|8.711740|17.551122|5.476448|8.293359|3.709293|3.231288|2.682704|2.506235|2.710929|3.282319|1.756052|0.037345|0.041207|0.038438|0.037906|0.040646|0.048460|0.056269|0.056946|0.065322|0.064609|0.080349|0.138871|0.114677|0.146165|0.110713|0.079155|0.075637|0.085352|0.069094|0.116523|0.099728|0.098821|0.146254|0.213637|0.300087|0.303018|0.500000| |1.436640|1.486508|1.386743|1.403805|1.529037|1.669274|1.638802|1.869734|2.096148|3.264746|2.354759|3.711049|2.679189|0.072151|3.395926|4.931429|2.902298|2.513581|2.124956|1.951524|2.597812|0.049583|0.050513|2.165490|2.418012|4.561545|7.385410|6.894190|0.171101|8.766281|5.487689|17.614819|13.414590|5.260559|4.810312|3.585359|3.082037|3.196946|3.972232|1.513594|0.037685|0.042366|0.038497|0.036030|0.036712|0.048328|0.053490|0.050291|0.055330|0.059952|0.073093|0.094889|0.101269|0.078704|0.077133|0.058896|0.055057|0.056214|0.049126|0.062697|0.057045|0.062218|0.075119|0.212911|0.139059|0.142096|0.122378|0.500000| |1.356427|1.407435|1.327248|1.349392|1.461975|1.574127|1.537534|1.743300|1.968925|3.027586|2.219638|3.570988|2.488828|0.065431|3.098658|4.548144|2.746202|2.410931|2.035296|1.909900|2.604716|0.050142|0.050537|2.209015|2.419604|4.075623|6.771789|5.502983|0.141310|8.824323|6.937104|17.560937|8.844818|3.759229|3.494881|2.789535|2.469168|2.560522|3.071580|1.458142|0.035509|0.039688|0.036653|0.034639|0.035542|0.044792|0.049050|0.047079|0.053046|0.056115|0.066038|0.090047|0.087706|0.076926|0.071171|0.055384|0.052828|0.055119|0.047964|0.064331|0.059289|0.062229|0.076584|0.212781|0.168654|0.211263|0.141877|0.301788|0.500000| |1.547246|1.608690|1.500731|1.521032|1.659594|1.813154|1.776860|2.028461|2.341819|3.643643|2.603170|4.090561|2.897998|0.075403|3.781086|5.206555|2.989071|2.681037|2.215742|2.021429|2.752437|0.052178|0.053999|2.341032|2.670366|4.505133|6.849070|6.812736|0.204907|8.758636|6.839321|17.511163|10.385142|4.524080|4.489647|3.421581|2.881423|2.893904|3.455703|1.638789|0.040165|0.045651|0.041671|0.038895|0.039701|0.052258|0.057290|0.054026|0.062369|0.067821|0.081059|0.113034|0.110652|0.080643|0.076585|0.060094|0.058054|0.057379|0.050559|0.066650|0.062500|0.069543|0.085303|0.173124|0.201048|0.171953|0.139066|0.300821|0.301963|0.500000| |1.875700|1.943219|1.755036|1.758634|1.950441|2.225448|2.214924|2.577689|2.911063|4.658783|3.102970|4.622729|3.465652|0.097016|4.485406|5.525227|3.162514|2.893963|2.443029|2.113005|2.744643|0.051176|0.054587|2.225715|2.627282|4.419629|6.494170|6.038879|0.197530|4.621195|3.671436|4.961774|12.963107|8.932719|17.716967|8.872446|5.627953|4.951559|5.642884|1.879993|0.048799|0.056642|0.049220|0.044816|0.044940|0.067772|0.076825|0.067317|0.072638|0.085624|0.113687|0.119385|0.159306|0.078892|0.086011|0.068973|0.064805|0.058949|0.053503|0.061961|0.057620|0.069695|0.078890|0.110649|0.106191|0.088497|0.091736|0.152921|0.108558|0.151063|0.500000| |2.185553|2.240783|1.968381|1.942800|2.162272|2.548312|2.603117|2.974199|3.155735|4.862786|3.082836|4.601343|3.262467|0.097140|3.714943|4.409022|2.751105|2.649289|2.361395|2.010882|2.562931|0.047780|0.051788|1.997554|2.340799|3.241008|5.017547|3.682719|0.113092|2.970735|2.570038|3.024305|7.501303|5.653364|8.930456|17.714803|8.906826|5.647826|4.947881|2.031398|0.057367|0.067334|0.055958|0.049853|0.048900|0.082803|0.094242|0.076283|0.075507|0.093502|0.121841|0.095492|0.130670|0.067550|0.077719|0.068323|0.064289|0.055137|0.052065|0.054707|0.051580|0.063719|0.067143|0.075713|0.074110|0.063740|0.067673|0.090331|0.072089|0.088998|0.214220|0.500000| |2.022388|2.106617|1.882229|1.887880|2.118920|2.463039|2.447130|2.918027|2.889136|4.490970|3.009481|4.564061|3.281828|0.105566|3.421551|4.274134|2.853823|2.726170|2.555904|2.159448|2.650799|0.049479|0.053295|2.001069|2.302158|3.088008|5.004456|3.172620|0.090939|2.564419|2.248305|2.473629|6.497571|4.953412|5.637235|8.904362|17.722999|8.905966|5.635149|2.034428|0.054401|0.060811|0.051228|0.047659|0.047857|0.076085|0.094143|0.078487|0.069581|0.080452|0.108117|0.083351|0.114566|0.069333|0.085423|0.077452|0.069099|0.059431|0.056745|0.055130|0.050833|0.062051|0.063833|0.068279|0.063014|0.056031|0.061448|0.073349|0.060391|0.069524|0.123797|0.214628|0.500000| |1.678958|1.774753|1.636444|1.678102|1.886412|2.113088|2.028860|2.503211|2.523731|4.056990|2.955386|4.542845|3.508530|0.116242|3.635119|5.039620|3.503759|3.103715|2.943594|2.510164|2.972855|0.055610|0.058253|2.233534|2.519750|3.767255|6.440745|3.570017|0.094972|2.839085|2.448119|2.595673|7.516854|5.657145|4.951040|5.648330|8.913912|17.716127|8.930387|1.882960|0.045252|0.049292|0.043175|0.041728|0.043325|0.060661|0.076646|0.070336|0.062970|0.067912|0.093709|0.084892|0.115750|0.084934|0.112977|0.092999|0.075885|0.071309|0.065464|0.063164|0.055561|0.065496|0.069318|0.078709|0.066228|0.060618|0.068736|0.076964|0.063524|0.069911|0.107506|0.124126|0.214742|0.500000| |1.526861|1.616961|1.508898|1.556528|1.742531|1.919849|1.829956|2.255441|2.396996|3.943675|2.978842|4.571023|3.773649|0.116239|4.360697|6.975777|4.512754|3.526335|3.110246|2.720446|3.271581|0.061245|0.062403|2.571546|2.894109|6.170630|11.137255|5.597437|0.131419|4.178211|3.348243|3.549308|13.078448|8.961975|5.648673|4.949461|5.622356|8.850124|17.732270|1.762274|0.040703|0.044637|0.039878|0.038669|0.040535|0.053998|0.066432|0.063192|0.061374|0.064810|0.090023|0.100672|0.134700|0.111913|0.144572|0.094731|0.076830|0.080259|0.068442|0.075282|0.063437|0.072176|0.082673|0.120931|0.086417|0.080829|0.094668|0.106156|0.084586|0.090673|0.124533|0.107469|0.123657|0.213527|0.500000| |2.990540|3.905488|4.235818|5.782068|8.758734|6.694107|4.561587|6.621715|6.120316|6.530767|4.843019|10.740643|3.536613|0.093003|2.932764|3.400628|2.553786|3.174901|3.265870|2.809568|3.921903|0.071561|0.091548|2.765565|3.190351|2.131112|3.452351|2.014294|0.060589|1.804755|1.873878|1.682176|3.323983|1.979795|2.048779|2.113998|2.101255|2.023830|1.966694|17.561457|0.076159|0.078608|0.077558|0.098332|0.149904|0.107778|0.134620|0.213245|0.213742|0.134204|0.108153|0.082923|0.077515|0.064583|0.067426|0.083610|0.109431|0.067960|0.076804|0.067127|0.074969|0.105313|0.080584|0.046849|0.055853|0.047708|0.053715|0.044934|0.043477|0.049101|0.055637|0.058842|0.058252|0.054597|0.052068|0.500000| 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