Version2.0 2020-04-13T10:14:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3)Oc4ccccc4 C39665406 RHF 6-31G(d) (6D,7F) C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3)Oc4ccccc4 C01[X(C29H40N3O4)] 222 C1 620 C[C@@H](Oc1ccccc1)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc1ccccc1 C[C@@H](Oc1ccccc1)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc1ccccc1 CC(C)[C@H](Oc1ccccc1)C(=O)N2C[C@H](C(=O)NC[C@@H](C)Oc3ccccc3)C4(CC[NH2+]CC4)C2 InChIKey=XFQDZWYBIJJOPQ-RCXJIHSJSA-O InChI=1S/C29H39N3O4/c1-21(2)26(36-24-12-8-5-9-13-24)28(34)32-19-25(29(20-32)14-16-30-17-15-29)27(33)31-18-22(3)35-23-10-6-4-7-11-23/h4-13,21-22,25-26,30H,14-20H2,1-3H3,(H,31,33)/p+1/t22-,25-,26+/m1/s1 InChI=1/C29H39N3O4/c1-21(2)26(36-24-12-8-5-9-13-24)28(34)32-19-25(29(20-32)14-16-30-17-15-29)27(33)31-18-22(3)35-23-10-6-4-7-11-23/h4-13,21-22,25-26,30H,14-20H2,1-3H3,(H,31,33)/p+1/t22-,25-,26+/m1/s1/fC29H40N3O4/h30-31H/q+1 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3)Oc4ccccc4 C01[X(C29H40N3O4)] 222 C01 620 C[C@@H](Oc1ccccc1)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc1ccccc1 C[C@@H](Oc1ccccc1)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C@H](C(C)C)Oc1ccccc1 CC(C)[C@H](Oc1ccccc1)C(=O)N2C[C@H](C(=O)NC[C@@H](C)Oc3ccccc3)C4(CC[NH2]CC4)C2 InChIKey=MFRCGYOODPJKET-RCXJIHSJSA-N InChI=1S/C29H40N3O4/c1-21(2)26(36-24-12-8-5-9-13-24)28(34)32-19-25(29(20-32)14-16-30-17-15-29)27(33)31-18-22(3)35-23-10-6-4-7-11-23/h4-13,21-22,25-26H,14-20,30H2,1-3H3,(H,31,33)/t22-,25-,26+/m1/s1 InChI=1/C29H40N3O4/c1-21(2)26(36-24-12-8-5-9-13-24)28(34)32-19-25(29(20-32)14-16-30-17-15-29)27(33)31-18-22(3)35-23-10-6-4-7-11-23/h4-13,21-22,25-26H,14-20,30H2,1-3H3,(H,31,33)/t22-,25-,26+/m1/s1/f/h31H 3993.1737329990 -1584.0920943 1-A 25058.4662 133 487 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66245 -20.66206 -20.62374 -20.61130 -15.86434 -15.68498 -15.68006 -11.45243 -11.45015 -11.44862 -11.43127 -11.38834 -11.38272 -11.38055 -11.37965 -11.37797 -11.37777 -11.37123 -11.36758 -11.36591 -11.36216 -11.34462 -11.33054 -11.32748 -11.32347 -11.32274 -11.31666 -11.30591 -11.29939 -11.29762 -11.29402 -11.28982 -11.28848 -11.28525 -11.27864 -11.26064 -1.50303 -1.49909 -1.49416 -1.48865 -1.47564 -1.36523 -1.33265 -1.25626 -1.24374 -1.21669 -1.21334 -1.17433 -1.16125 -1.14097 -1.11118 -1.10858 -1.09712 -1.08301 -1.06463 -1.05298 -1.04465 -1.03900 -1.02088 -0.99354 -0.97244 -0.95526 -0.93218 -0.92877 -0.91684 -0.90845 -0.89697 -0.88898 -0.87228 -0.86161 -0.85443 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1617.17 1619.48 1625.50 1637.18 1640.46 1649.21 1669.93 1689.43 1700.12 1707.94 1744.63 1749.08 1762.69 1766.42 1778.69 1785.80 1807.67 1831.85 1835.51 1848.23 1851.20 1872.27 1895.81 1898.11 1914.27 1917.22 1920.01 1935.53 1950.52 1975.23 1994.08 2006.61 2014.44 2017.31 2036.49 2068.97 2085.87 2093.55 2099.68 2102.61 2115.80 2125.31 2126.38 2160.24 2166.24 2180.90 2184.63 2191.84 2214.85 2223.97 2239.02 2242.02 2243.71 2259.09 2261.09 2271.80 2274.07 2277.05 2309.16 2322.98 2336.07 2345.17 2350.69 2352.18 2357.25 2360.02 2364.22 2367.09 2370.70 2375.56 2382.55 2389.99 2401.35 2404.66 2412.22 2424.17 2477.13 2562.32 2575.33 2591.13 2600.87 2630.04 2764.20 2796.23 4579.82 4598.50 4604.10 4615.32 4631.10 4638.38 4650.43 4664.45 4665.52 4675.87 4690.38 4694.89 4706.34 4716.75 4724.93 4727.62 4734.16 4734.90 4744.62 4749.46 4757.17 4763.54 4793.69 4794.60 4800.48 4800.99 4826.31 4828.32 4840.45 4846.32 4852.30 4862.87 4873.23 4873.73 4885.85 4899.04 4902.28 5277.29 5369.30 5580.04 0.713055 0.745785 0.746729 0.642961 -1583.379040 -1583.346309 -1583.345365 -1583.449133 3.480396D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H](C(C)C)Oc3ccccc3)Oc4ccccc4 C39665406 RHF 6-31G(d) (6D,10F) C1 494.301882 |X|Y|Z| 62.089282 45.508480 138.319073 73.113405 30 6 7 8 25 3 2 |36.858105| |12.514643|36.858105| |8.821062|17.566504|0.500000| |7.570118|12.517001|0.248839|36.858105| |5.022406|7.802870|0.197524|13.124388|53.358707| |3.883568|5.245166|0.144067|7.736811|19.358406|36.858105| |3.694103|4.631610|0.128728|6.740610|11.544318|15.786277|73.516695| |3.076862|3.975122|0.111049|5.010772|10.735264|12.459791|14.143688|36.858105| |3.110391|4.107653|0.116409|4.821884|10.359267|8.894111|10.545771|17.565954|0.500000| |2.741246|3.368658|0.090124|4.237989|7.984014|7.591092|10.640395|12.344976|0.243536|36.858105| |2.405907|2.845492|0.077307|3.525578|6.070339|5.945222|9.993544|8.044131|0.162797|13.074761|53.358707| |2.383106|2.820306|0.079049|3.446879|5.879451|6.095467|11.210583|7.929346|0.158244|7.864827|17.831473|36.858105| |2.586214|3.178828|0.091650|3.797241|6.945451|7.369179|11.724425|12.285844|0.242160|7.871176|11.042835|12.350692|36.858105| |2.633948|3.213417|0.096794|3.710479|6.390193|6.389366|11.405066|7.347369|0.175012|4.985998|6.955369|7.391744|12.386781|36.858105| |2.199752|2.577381|0.077189|2.876188|4.647254|4.262650|7.867967|4.827713|0.121833|3.843669|5.713637|5.975828|7.463300|12.510641|36.858105| |1.994308|2.330198|0.069284|2.540958|4.124823|3.616368|6.294635|4.371265|0.117484|3.639650|5.293017|5.064717|6.435977|7.678654|12.646803|53.358707| |1.817579|2.086937|0.061833|2.254418|3.567320|3.062340|5.423856|3.570534|0.096080|3.105544|4.578401|4.248361|4.898953|5.670678|9.159336|25.689068|0.500000| |2.041588|2.402090|0.072333|2.564050|4.169902|3.550347|6.023219|4.256475|0.120462|3.453943|4.772812|4.329383|5.771488|7.047092|9.208517|25.677442|0.328386|0.500000| |1.957350|2.295313|0.066725|2.541164|4.209520|3.716119|6.270243|4.883939|0.130384|4.339070|6.470538|5.984031|7.395364|6.474760|7.590936|17.199919|0.254620|0.255301|36.858105| |2.245195|2.711130|0.078197|3.066303|5.382737|4.903655|7.706355|7.598456|0.204071|6.288863|8.560465|7.504045|12.301088|7.603756|6.512701|10.460086|0.157657|0.195019|12.507252|36.858105| |2.127400|2.441871|0.065695|2.948541|4.786658|4.279663|7.399721|5.207055|0.119110|7.885934|19.048514|7.510932|5.249830|3.804650|3.382222|4.418277|0.081166|0.081604|3.973133|4.747931|36.858105| |2.081461|2.375853|0.063117|2.829860|4.543964|3.835679|6.409686|4.598901|0.111530|7.161367|11.674312|5.307932|4.301296|3.229333|2.874018|3.847112|0.071260|0.072852|3.430800|4.112208|15.883329|73.516695| |1.896083|2.125833|0.057739|2.520888|3.924295|3.460429|6.339088|3.937232|0.092600|4.980241|10.421684|6.299349|4.299466|3.412218|3.238374|4.192230|0.079597|0.075929|3.665920|3.949120|12.412682|14.164754|36.858105| |1.911747|2.147827|0.059048|2.546018|3.966929|3.583580|6.770383|4.046624|0.093847|4.744895|10.124865|7.542215|4.745408|3.849162|3.752750|4.723918|0.089923|0.083454|4.070122|4.223398|8.825266|10.427155|17.599411|0.500000| |1.861975|2.043095|0.054859|2.429808|3.637924|3.116755|5.858172|3.301547|0.078779|4.053371|7.398859|4.643791|3.419421|2.876818|2.716057|3.449692|0.066294|0.063703|2.866822|3.072663|7.474729|11.001928|12.370281|0.248546|36.858105| |1.688808|1.827402|0.049570|2.133520|3.132714|2.657190|5.091622|2.763724|0.067106|3.172023|5.536894|3.883059|2.956147|2.617783|2.570063|3.249973|0.063866|0.059698|2.628537|2.691065|4.916875|7.472613|7.589995|0.204284|12.427546|36.858105| |1.757064|1.908761|0.050751|2.236637|3.307470|2.723669|4.963944|2.883330|0.071016|3.591888|5.935760|3.602300|2.869169|2.429098|2.285844|2.974839|0.057419|0.055967|2.476209|2.671950|6.017610|10.907384|7.403748|0.152530|12.434741|7.555254|36.858105| |1.686958|1.877806|0.051237|2.167613|3.348337|2.857812|5.119634|3.293236|0.081055|4.037618|7.421829|4.746540|3.617784|2.948385|2.902815|3.938418|0.076462|0.071648|3.510856|3.611751|7.908372|11.859526|13.540339|0.260582|7.931922|6.365192|6.598861|73.516695| |1.634880|1.832504|0.050578|2.084690|3.258674|2.781447|4.909504|3.310816|0.083107|3.900000|6.934272|4.762135|3.806362|3.098122|3.152141|4.476505|0.087749|0.080359|4.188259|4.086783|6.385452|9.749342|8.068220|0.207171|5.201541|4.625787|4.499697|24.864232|36.858105| |1.555557|1.734260|0.048386|1.954435|3.024095|2.585877|4.652252|3.015064|0.076079|3.326487|5.778659|4.432533|3.612905|3.105248|3.345047|4.787335|0.097345|0.083948|4.352309|3.879226|4.757740|7.185568|6.053393|0.184723|4.368606|4.335280|3.672180|14.222264|13.722201|36.858105| |1.482336|1.654452|0.046558|1.833632|2.839711|2.396925|4.257377|2.814153|0.072990|2.991567|4.900500|3.849403|3.404983|3.012881|3.363149|5.124222|0.107952|0.089891|4.709981|3.883413|3.801844|5.980954|4.323756|0.130037|3.335259|3.304186|2.925785|9.293956|7.937760|13.734964|36.858105| |1.478054|1.658744|0.046667|1.821699|2.845667|2.368571|4.102920|2.842362|0.075662|3.035047|4.755688|3.597752|3.365715|2.923632|3.184940|5.080194|0.105257|0.091891|4.905945|4.096402|3.660176|6.003315|3.839295|0.109768|2.987508|2.844923|2.722913|8.186547|6.863959|7.915281|13.726463|36.858105| |1.545728|1.744157|0.048625|1.926076|3.038783|2.516599|4.277601|3.086201|0.082548|3.452492|5.343823|3.769724|3.520742|2.917836|3.017182|4.711383|0.093376|0.087194|4.671230|4.340838|4.268847|7.280008|4.235550|0.114137|3.221585|2.926358|3.017234|9.305726|7.948307|6.871139|7.943025|13.729107|36.858105| |1.629348|1.838529|0.050718|2.067597|3.268227|2.737784|4.677334|3.357294|0.087114|4.000488|6.546907|4.308903|3.750605|2.999886|3.001753|4.442385|0.086185|0.081699|4.318676|4.334126|5.787050|9.872989|5.813243|0.145770|4.119853|3.568746|3.858094|14.250572|13.734185|7.911216|6.859927|7.906761|13.732563|36.858105| |7.839240|13.476693|0.258262|8.178272|9.585329|4.722458|7.019259|3.930230|0.118932|3.431149|3.814630|2.696356|3.068070|2.982846|2.419309|3.074087|0.056160|0.065163|2.272915|2.720179|2.433188|4.308273|2.084105|0.057669|1.986452|1.760276|1.887599|3.315664|1.829136|1.712881|1.642436|1.669837|1.776925|1.867468|73.516695| |6.074600|7.838665|0.199436|5.255104|6.716480|3.710410|5.659272|3.307910|0.102551|2.910162|3.303412|2.359274|2.701610|2.666784|2.223689|2.884256|0.053129|0.061981|2.118334|2.488653|2.139983|3.807866|1.857389|0.051457|1.763446|1.580693|1.687180|3.007719|1.677731|1.581497|1.535215|1.572847|1.667205|1.727321|24.898940|36.858105| |4.450509|5.220034|0.132374|4.123015|5.548466|3.213753|4.907026|3.018229|0.094417|2.768807|3.131693|2.192551|2.481376|2.388479|2.028544|2.687055|0.049786|0.057652|2.009143|2.355014|2.067876|3.749753|1.788247|0.049000|1.697311|1.516282|1.648775|2.931474|1.637642|1.532558|1.491947|1.543126|1.650256|1.706249|14.572405|13.694743|36.858105| |3.570687|3.950956|0.105885|3.219353|4.371762|2.667183|4.163254|2.567926|0.080078|2.369795|2.743856|1.940326|2.188880|2.132198|1.853481|2.488209|0.046544|0.053731|1.850298|2.124953|1.833535|3.324744|1.607971|0.044153|1.525239|1.376835|1.487001|2.669798|1.502627|1.415743|1.390920|1.445002|1.537383|1.571587|9.404821|7.936223|13.807127|36.858105| |3.459056|3.737748|0.105328|2.984442|4.008396|2.492216|3.956725|2.383928|0.073820|2.160727|2.548838|1.838137|2.082586|2.080931|1.827386|2.448681|0.046032|0.053266|1.788808|2.021867|1.698384|3.043156|1.508786|0.041799|1.430773|1.305209|1.384762|2.509272|1.419099|1.351470|1.335293|1.382380|1.454661|1.475994|8.181187|6.845031|7.921610|13.711198|36.858105| |4.080946|4.427397|0.131152|3.342942|4.392517|2.704963|4.321989|2.520475|0.077567|2.227433|2.640110|1.933578|2.208211|2.257142|1.965770|2.594690|0.048625|0.056611|1.864631|2.104999|1.738521|3.075881|1.550192|0.043305|1.470293|1.345999|1.407950|2.557489|1.445373|1.384926|1.366216|1.403861|1.466643|1.490097|9.213969|7.949182|6.900609|7.981429|13.800880|36.858105| |5.601597|6.531026|0.197412|4.403592|5.601729|3.286020|5.182404|2.945170|0.090457|2.550259|2.982034|2.184990|2.512537|2.572375|2.181569|2.825720|0.052411|0.061324|2.029160|2.329759|1.935227|3.403777|1.710666|0.047881|1.623380|1.476240|1.543406|2.785759|1.564907|1.494421|1.462267|1.493834|1.564010|1.603753|13.917459|13.750747|7.927536|6.870944|7.895803|13.699882|36.858105| |17.601649|8.800384|0.209937|5.500605|5.641394|3.307772|5.564743|2.738591|0.078293|2.447223|2.940057|2.147516|2.345470|2.405477|2.043871|2.555042|0.047800|0.053807|1.834462|2.082394|1.927232|3.368143|1.728880|0.048414|1.692065|1.545884|1.606212|2.767773|1.519383|1.451472|1.394052|1.396292|1.456486|1.522420|12.447450|6.492276|4.697601|3.896089|3.912786|4.788829|6.615582|0.500000| |17.554174|8.836305|0.212228|6.854821|6.277793|3.784339|6.727838|2.956803|0.081228|2.624191|3.214123|2.380069|2.551244|2.653354|2.231900|2.711945|0.050661|0.056329|1.933190|2.189112|2.088138|3.588740|1.888499|0.053354|1.867022|1.710772|1.745668|2.974106|1.617604|1.551074|1.474818|1.458267|1.513341|1.596006|10.073521|4.638084|3.579752|2.999704|2.969736|3.497579|4.549922|0.301545|0.500000| |17.570762|8.849658|0.173227|6.931530|6.369596|3.659192|6.191658|2.942444|0.081926|2.718850|3.243967|2.311430|2.457205|2.442248|2.055912|2.555156|0.047687|0.052992|1.868599|2.145451|2.138498|3.763547|1.901475|0.052716|1.889352|1.703980|1.803823|3.006820|1.624751|1.534688|1.454181|1.450317|1.525787|1.619698|12.595428|5.436071|4.339669|3.454995|3.231203|3.620329|4.690494|0.301837|0.300302|0.500000| |7.023557|8.890098|0.174962|17.560928|12.421085|6.291164|10.082659|4.461626|0.118105|4.132813|4.687518|3.232959|3.409929|3.219777|2.572078|3.139719|0.057410|0.064106|2.349229|2.815533|2.969332|5.174068|2.529087|0.069722|2.489252|2.163734|2.332535|3.862396|2.059208|1.910156|1.777794|1.766388|1.882615|2.042176|12.963497|4.805821|4.013801|3.121543|2.826605|3.069511|3.910850|0.142713|0.172493|0.212055|0.500000| |6.815385|8.854416|0.216267|17.657132|12.574982|7.430216|13.853443|4.680301|0.119822|3.934428|4.717107|3.519796|3.784199|3.860225|3.004048|3.507926|0.063826|0.071532|2.529035|2.983925|2.896013|4.832269|2.540882|0.072460|2.473254|2.203404|2.237373|3.849754|2.075440|1.969594|1.840662|1.805291|1.886155|2.025430|10.322802|4.237909|3.401740|2.779425|2.648073|2.991431|3.825012|0.139675|0.201831|0.168589|0.301645|0.500000| |4.684183|7.219256|0.181248|9.133909|26.049294|9.396856|10.844363|7.542962|0.237239|5.880738|5.770970|3.969521|4.788746|4.261734|3.188534|4.010282|0.070830|0.083931|3.065101|3.982805|3.414819|5.938652|2.759505|0.076355|2.533808|2.174147|2.349776|4.271615|2.360887|2.172014|2.058465|2.096555|2.264835|2.419291|14.358104|5.667796|4.814223|3.669530|3.262156|3.497632|4.449969|0.111942|0.114564|0.123341|0.209746|0.180511|0.500000| |2.513359|3.055244|0.082013|3.643859|6.611175|5.618901|8.063059|8.709467|0.224044|17.601853|12.361185|6.100989|6.463736|4.311105|3.500141|4.776425|0.083887|0.093870|4.346074|6.345813|7.111334|13.153450|4.578161|0.117867|3.687233|2.921943|3.419275|7.101509|3.986668|3.322026|3.048726|3.211008|3.798741|4.375374|5.734527|2.820224|2.764033|2.394899|2.164639|2.192954|2.466303|0.063458|0.066136|0.069483|0.099602|0.092650|0.144856|0.500000| |2.956541|3.609153|0.093089|4.717043|8.598725|7.429463|10.573629|8.660127|0.191078|17.614856|12.344110|5.972345|5.711123|4.148444|3.268214|4.155472|0.074019|0.081373|3.489216|4.653262|6.930913|12.343130|4.580032|0.117981|4.047158|3.123653|3.710090|6.571783|3.429536|2.936068|2.626295|2.643717|2.987755|3.471426|6.569441|3.046192|2.906786|2.444509|2.199966|2.260459|2.611991|0.072260|0.077983|0.083282|0.134991|0.118758|0.174599|0.304214|0.500000| |2.104826|2.441552|0.068799|2.887561|4.742373|4.554204|8.405853|5.691860|0.126869|5.833861|12.365852|17.631425|8.688061|6.283520|6.104937|7.439361|0.131712|0.123216|6.813754|7.154225|6.966647|8.798566|6.864192|0.255600|4.722980|4.133457|3.606229|9.665101|5.822242|5.721968|4.832554|4.301978|4.347609|4.954959|4.179769|2.100329|1.972526|1.772807|1.689775|1.768377|1.968172|0.053362|0.058562|0.056797|0.075907|0.082031|0.090942|0.141094|0.129250|0.500000| |2.495890|2.920617|0.081825|3.646830|5.987890|6.341545|13.612186|6.729123|0.136830|6.335159|12.300491|17.615527|8.786614|7.096476|5.717578|6.070935|0.107022|0.107606|4.754061|5.508112|6.167500|8.108148|5.703391|0.195194|4.675999|4.034132|3.537037|7.488091|4.041210|3.885456|3.366477|3.083512|3.161771|3.577054|4.814700|2.344152|2.147773|1.894859|1.805828|1.918312|2.184695|0.061844|0.070454|0.067106|0.094641|0.107643|0.107534|0.135574|0.150818|0.301036|0.500000| |2.837610|3.435825|0.103625|4.083437|6.774175|7.001057|14.610971|6.603455|0.151278|4.674537|6.611279|6.888422|8.793604|17.648742|8.981271|7.618080|0.126902|0.143988|4.860421|5.514893|3.665646|5.517632|3.351014|0.105638|2.926594|2.684700|2.446637|5.033973|2.883954|2.889784|2.743862|2.614864|2.611102|2.734381|5.447778|2.688817|2.369382|2.099291|2.054373|2.252061|2.600829|0.070939|0.081080|0.072681|0.097072|0.124018|0.118778|0.108702|0.113803|0.157783|0.217170|0.500000| |2.783107|3.468191|0.107953|3.840180|6.672032|6.127199|10.089473|6.855042|0.187017|4.517436|5.824357|5.443986|8.811800|17.494766|8.910802|9.436012|0.144684|0.207401|5.689302|6.811894|3.300673|5.178820|2.926842|0.088909|2.517771|2.293881|2.186492|4.604751|2.726568|2.712139|2.683580|2.670499|2.683935|2.711533|5.761091|2.943682|2.603850|2.330344|2.296832|2.519596|2.881670|0.071376|0.077098|0.070513|0.090471|0.108637|0.126878|0.112656|0.106911|0.131941|0.144262|0.304022|0.500000| |2.071941|2.387217|0.070245|2.700996|4.284316|3.952311|7.575138|4.408565|0.107717|3.755823|5.960635|6.523005|6.691762|8.741916|17.623765|12.433025|0.224001|0.181186|6.961167|5.755620|3.606069|5.313877|3.617221|0.121541|3.003910|2.898400|2.464251|5.713816|3.488919|3.826049|3.763598|3.398519|3.156490|3.189834|3.977195|2.044689|1.879158|1.716759|1.683997|1.799773|1.992190|0.053270|0.058717|0.054392|0.068340|0.079048|0.081141|0.094211|0.089401|0.203632|0.179058|0.212410|0.173100|0.500000| |2.164087|2.503645|0.076113|2.729900|4.272263|3.766612|7.048007|4.009592|0.104322|3.231428|4.678095|4.563263|5.447915|8.772809|17.626155|12.360704|0.222990|0.224104|5.575851|4.889188|2.858299|4.414257|2.771341|0.087920|2.401430|2.311673|2.049138|4.468424|2.697202|2.878158|2.921545|2.771957|2.609224|2.576347|4.130990|2.160572|1.956904|1.803431|1.801911|1.956423|2.160417|0.056308|0.061561|0.055691|0.067442|0.080101|0.081259|0.082472|0.078828|0.127821|0.127412|0.212630|0.215590|0.301352|0.500000| |1.859057|2.149559|0.061844|2.406614|3.913720|3.481472|6.073908|4.419194|0.112902|4.188157|6.781741|6.449456|6.565813|5.663826|6.905483|12.409587|0.224975|0.181002|17.654305|8.717485|4.327631|6.433979|4.225189|0.135327|3.198276|2.972129|2.699835|7.289098|5.099258|5.627705|6.107224|5.882452|5.285113|4.959001|3.756095|1.956530|1.859523|1.711198|1.650859|1.717701|1.869319|0.048225|0.051334|0.049669|0.062588|0.067225|0.078133|0.114619|0.094739|0.236991|0.141434|0.126901|0.131445|0.208026|0.142697|0.500000| |1.816872|2.113270|0.061325|2.294392|3.745953|3.179464|5.309023|4.079107|0.114069|3.751319|5.394817|4.571941|5.422596|4.885567|5.577128|12.354628|0.222239|0.224589|17.634069|8.784132|3.487479|5.570925|3.236126|0.096795|2.577594|2.380076|2.287064|5.737478|3.920894|4.074122|4.690571|5.311466|4.977449|4.256002|3.774391|2.011364|1.933658|1.803615|1.746170|1.802815|1.933881|0.047757|0.049578|0.048313|0.059382|0.062835|0.077202|0.108813|0.085915|0.141548|0.104785|0.107503|0.128478|0.143081|0.126442|0.302620|0.500000| |2.317733|2.835915|0.082846|3.112913|5.510250|4.738036|7.167450|7.098121|0.227954|5.512507|6.753484|5.496478|8.784868|6.789788|5.675669|9.379045|0.144063|0.204793|8.919107|17.512453|3.912552|6.344096|3.271066|0.095063|2.657155|2.347273|2.373148|5.404574|3.380940|3.218630|3.286986|3.545626|3.763380|3.661930|5.154981|2.700609|2.562067|2.323179|2.215649|2.303916|2.538182|0.060291|0.062106|0.061023|0.078482|0.082641|0.117298|0.160852|0.118980|0.142137|0.123135|0.139146|0.199000|0.132268|0.127481|0.173119|0.217558|0.500000| |2.141015|2.558533|0.072253|2.905558|5.046495|4.469291|6.990265|6.881910|0.184700|7.013653|9.606404|7.055113|8.717326|5.508605|4.891948|7.639905|0.127353|0.143565|9.042659|17.599216|5.595574|8.806090|4.408269|0.125185|3.316541|2.829982|2.931364|7.349346|4.777851|4.252479|4.188276|4.598913|5.282015|5.414075|4.646493|2.389981|2.307593|2.082111|1.954935|2.004974|2.205000|0.055171|0.057603|0.057659|0.076032|0.077559|0.105783|0.220974|0.139943|0.192249|0.141030|0.123011|0.139075|0.129187|0.107755|0.214623|0.213317|0.303815|0.500000| |2.047845|2.247280|0.059905|2.733094|4.057528|3.513251|6.776585|3.576335|0.083684|4.372853|7.884066|4.931527|3.601747|3.046821|2.797331|3.462810|0.065856|0.064324|2.822067|3.093690|7.176628|10.447558|8.998229|0.214083|17.489348|8.914633|8.883487|10.251918|4.276325|3.723207|2.967964|2.696663|2.889228|3.569608|3.836883|1.889006|1.801427|1.603847|1.502680|1.553032|1.731360|0.051140|0.057313|0.057912|0.078380|0.078063|0.077077|0.105742|0.125759|0.130738|0.146222|0.088253|0.073826|0.085317|0.068943|0.085795|0.069715|0.074830|0.090912|0.500000| |1.650199|1.762509|0.047570|2.050141|2.951697|2.459313|4.730965|2.496688|0.061217|2.833306|4.725781|3.304199|2.610036|2.354845|2.297624|2.896828|0.057063|0.053853|2.303755|2.370211|4.068109|6.482499|5.507414|0.146911|8.806633|17.569530|6.960539|8.538107|3.694814|3.492518|2.791523|2.454504|2.524660|3.005718|3.009496|1.520766|1.459673|1.326857|1.258434|1.297335|1.421441|0.041970|0.046597|0.046525|0.058289|0.059012|0.056826|0.072627|0.079315|0.094947|0.096920|0.067798|0.058093|0.071004|0.058305|0.070997|0.058452|0.058449|0.068711|0.213115|0.500000| |1.725355|1.870954|0.051181|2.187689|3.214001|2.767945|5.423970|2.854822|0.068737|3.169172|5.601299|4.207359|3.144043|2.844852|2.837594|3.510797|0.069262|0.063763|2.790224|2.809537|4.643454|6.804187|6.927484|0.222440|8.724111|17.522612|5.476490|9.962984|4.447012|4.449387|3.415370|2.874938|2.877919|3.415924|3.168905|1.599803|1.521314|1.381766|1.317891|1.368229|1.504364|0.043823|0.048906|0.047965|0.060849|0.063574|0.061314|0.079867|0.085348|0.126878|0.125813|0.081986|0.068206|0.091045|0.070886|0.088646|0.069188|0.067565|0.080286|0.213750|0.302145|0.500000| |1.560217|1.687372|0.045955|1.941499|2.860738|2.401348|4.519926|2.544190|0.062790|2.907929|4.988710|3.511680|2.747403|2.438165|2.439942|3.159458|0.062808|0.058012|2.579700|2.587945|4.472880|7.010940|6.846733|0.180854|8.777343|17.568489|6.815744|12.444461|5.073914|4.830058|3.596728|3.045975|3.108884|3.802637|2.914307|1.486788|1.435612|1.312932|1.246228|1.279611|1.393073|0.039970|0.043729|0.043653|0.054507|0.055271|0.055794|0.076385|0.078498|0.106856|0.097974|0.068289|0.059836|0.076301|0.061094|0.081760|0.065871|0.062861|0.076317|0.173656|0.301849|0.300596|0.500000| |1.853114|2.025761|0.053397|2.385280|3.555264|2.895965|5.157016|3.091329|0.076460|4.011951|6.373121|3.652026|2.970602|2.468184|2.277100|2.981673|0.056991|0.056605|2.502686|2.774151|6.635525|13.793273|6.708459|0.137729|8.731002|5.481210|17.637173|10.522892|4.278211|3.411409|2.791461|2.676092|3.041232|3.902457|3.604110|1.803212|1.774334|1.590532|1.467861|1.484928|1.631493|0.046950|0.050665|0.053172|0.069866|0.065274|0.070904|0.107537|0.118506|0.098601|0.097804|0.068654|0.062285|0.067093|0.056557|0.074499|0.064426|0.068985|0.085764|0.211820|0.141804|0.122234|0.139375|0.500000| |1.716573|1.838272|0.048697|2.145535|3.102562|2.517847|4.642456|2.588784|0.064234|3.125240|4.977982|3.135136|2.555191|2.219991|2.092643|2.701649|0.052413|0.051147|2.202298|2.360457|4.635068|8.356484|5.448862|0.124155|8.864149|6.986067|17.554929|8.709624|3.629446|3.119408|2.553431|2.374980|2.581005|3.169903|3.213213|1.616553|1.577809|1.425400|1.330202|1.353807|1.482784|0.043595|0.047601|0.049228|0.062657|0.060004|0.060924|0.082071|0.091310|0.086389|0.087895|0.062891|0.055921|0.062481|0.052804|0.066118|0.056702|0.059036|0.070635|0.214425|0.212233|0.142379|0.170277|0.301224|0.500000| |1.614692|1.751880|0.046886|2.019586|2.993753|2.448702|4.421705|2.635525|0.065972|3.228090|5.273453|3.286012|2.669518|2.274786|2.181674|2.891687|0.056360|0.054366|2.425367|2.564809|5.274660|9.734760|6.685066|0.140694|8.793973|6.853471|17.586477|12.976557|4.886759|3.925186|3.102189|2.885854|3.214217|4.160229|3.099078|1.576518|1.549760|1.410088|1.316566|1.333449|1.450057|0.041339|0.044487|0.045863|0.058031|0.055948|0.059654|0.087872|0.090319|0.094170|0.087898|0.062848|0.057173|0.065396|0.054440|0.073999|0.063097|0.063405|0.078795|0.173498|0.171353|0.139455|0.202320|0.301988|0.301529|0.500000| |1.534664|1.697179|0.047343|1.918471|2.927897|2.508191|4.615918|2.835121|0.070860|3.086599|5.390082|4.243880|3.380596|2.999026|3.257385|4.474198|0.091870|0.078410|3.838223|3.449955|4.401564|6.569057|6.010036|0.196251|4.631467|5.016049|3.745934|12.996443|8.935957|17.717319|8.870058|5.626510|4.951940|5.643193|2.949460|1.527337|1.471782|1.358694|1.301587|1.339737|1.448595|0.039702|0.042812|0.042076|0.052154|0.054297|0.057757|0.083430|0.077168|0.150784|0.108617|0.079471|0.072243|0.106122|0.079000|0.135320|0.098019|0.080479|0.101452|0.108857|0.109784|0.149130|0.159401|0.093469|0.090000|0.110415|0.500000| |1.415717|1.570280|0.044420|1.727658|2.647071|2.222370|3.989214|2.553906|0.066561|2.644063|4.255223|3.431574|3.092932|2.857988|3.292997|5.003911|0.109775|0.087695|4.303101|3.456705|3.224509|5.096094|3.668423|0.112556|2.970192|3.043218|2.605470|7.508005|5.648265|8.926949|17.706260|8.900449|5.644455|4.944948|2.754754|1.455140|1.409122|1.320071|1.276054|1.310001|1.397625|0.037105|0.039313|0.038455|0.046362|0.048496|0.053058|0.073928|0.065250|0.117759|0.085984|0.072909|0.071066|0.103344|0.081244|0.151767|0.119681|0.083000|0.099451|0.074577|0.072596|0.089099|0.091784|0.068599|0.064506|0.076209|0.214198|0.500000| |1.409345|1.577131|0.044598|1.710358|2.656291|2.183106|3.770719|2.592455|0.070284|2.698702|4.090293|3.127530|3.042054|2.726806|3.011816|4.933392|0.104918|0.091106|4.579514|3.734979|3.073886|5.121881|3.165533|0.090792|2.559079|2.463409|2.361077|6.498336|4.947422|5.633984|8.897063|17.712677|8.898748|5.631062|2.829152|1.513716|1.488507|1.405581|1.351903|1.370871|1.447934|0.037209|0.038604|0.038297|0.045907|0.047039|0.054597|0.079445|0.065885|0.101069|0.075765|0.067580|0.070529|0.087571|0.074259|0.144065|0.146327|0.093218|0.112781|0.065229|0.060137|0.069472|0.072751|0.064753|0.058184|0.069104|0.123745|0.214379|0.500000| |1.519009|1.715101|0.047788|1.872955|2.954407|2.401398|4.022185|2.946386|0.080980|3.273609|4.802139|3.336012|3.255482|2.720824|2.772984|4.377765|0.086384|0.083494|4.259128|4.085482|3.762472|6.692820|3.574295|0.095263|2.830426|2.558380|2.722196|7.517688|5.654380|4.951037|5.645828|8.906832|17.713306|8.932600|3.142764|1.673655|1.673246|1.568452|1.480012|1.480769|1.568142|0.039966|0.041062|0.041678|0.050912|0.050492|0.062002|0.102883|0.079395|0.102514|0.078525|0.067479|0.071166|0.078586|0.067485|0.125081|0.131510|0.103028|0.138566|0.071762|0.062544|0.069565|0.074723|0.077631|0.065528|0.080091|0.107514|0.124049|0.214567|0.500000| |1.669613|1.885296|0.051511|2.124876|3.363109|2.776949|4.672734|3.406206|0.089116|4.255654|6.666676|4.074201|3.599884|2.844876|2.755028|4.013116|0.076874|0.075405|3.808846|4.075162|6.199068|11.943967|5.634432|0.132555|4.157274|3.446267|4.124537|13.067592|8.962775|5.649201|4.947678|5.618979|8.848422|17.742723|3.442159|1.786262|1.780736|1.633927|1.519964|1.524087|1.641325|0.043283|0.045126|0.046427|0.058936|0.057189|0.069910|0.134481|0.104453|0.122401|0.094807|0.072674|0.072407|0.079911|0.066259|0.115498|0.104189|0.098301|0.144024|0.100810|0.082109|0.089414|0.100320|0.121405|0.092936|0.123416|0.124566|0.107436|0.123602|0.213575|0.500000| |4.166467|4.874792|0.118781|4.160187|5.689513|3.292011|4.982438|3.126006|0.097274|2.963435|3.301324|2.259678|2.524687|2.369315|2.008481|2.666611|0.049365|0.056695|2.026692|2.398014|2.197335|4.043239|1.878580|0.050956|1.787635|1.581071|1.752820|3.076848|1.707957|1.581904|1.530735|1.586581|1.713569|1.786957|13.518999|8.954597|17.730846|8.887835|5.627644|4.967589|5.656672|0.116480|0.094006|0.118567|0.117616|0.093997|0.140224|0.082952|0.088152|0.056285|0.061168|0.065182|0.070628|0.052107|0.053255|0.052399|0.054148|0.071805|0.066333|0.052739|0.042298|0.043761|0.041546|0.052910|0.046533|0.045644|0.042096|0.039928|0.042295|0.048340|0.052323|0.500000| |3.047111|3.313810|0.088221|2.827342|3.883238|2.422579|3.802275|2.376901|0.073786|2.243516|2.610483|1.830042|2.043327|1.968781|1.730683|2.345602|0.044096|0.050478|1.760744|2.011136|1.766795|3.234600|1.551770|0.042368|1.473833|1.330293|1.449829|2.597359|1.462657|1.373698|1.351821|1.411173|1.507745|1.538840|7.613150|5.650774|8.964427|17.718113|8.899302|5.662944|4.951045|0.090688|0.072525|0.083834|0.077580|0.068526|0.090251|0.063825|0.064316|0.046775|0.049380|0.053570|0.059190|0.044798|0.046619|0.045403|0.048039|0.060859|0.055371|0.042806|0.035647|0.036906|0.035387|0.043181|0.038613|0.038358|0.036534|0.035591|0.038198|0.042979|0.044650|0.214741|0.500000| |2.926751|3.095889|0.087696|2.556044|3.452445|2.200035|3.533053|2.131320|0.065569|1.950548|2.329912|1.684463|1.895771|1.898818|1.693748|2.287974|0.043337|0.049809|1.669527|1.862329|1.565967|2.809325|1.402270|0.038851|1.330976|1.221077|1.292331|2.349621|1.333020|1.273923|1.264636|1.311964|1.376425|1.388752|6.495822|4.938589|5.638238|8.883653|17.731722|8.916055|5.625295|0.091222|0.071587|0.076735|0.067735|0.064136|0.077129|0.054600|0.054869|0.043408|0.045895|0.051892|0.057954|0.043487|0.046571|0.042894|0.045616|0.056582|0.050158|0.038626|0.032740|0.034224|0.032525|0.037937|0.034530|0.034299|0.034081|0.033670|0.035812|0.039025|0.039658|0.123752|0.214021|0.500000| 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