Version2.1 2020-11-30T07:25:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc5ccc4C(c2ccc(OCCN1CCC1)cc2)=C(c3ccc(O)cc3)CCOc4c5 517134 CHEMBL511269 RHF 6-31G(d) (6D,7F) COc5ccc4C(c2ccc(OCCN1CCC1)cc2)=C(c3ccc(O)cc3)CCOc4c5 C01[X(C28H29N1O4)] 180 C1 553 COc1ccc2c(c1)OCCC(=C2c1ccc(cc1)OCCN1CCC1)c1ccc(cc1)O COc1ccc2c(c1)OCCC(=C2c1ccc(cc1)OCCN1CCC1)c1ccc(cc1)O COc1ccc2c(OCCC(=C2c3ccc(OCCN4CCC4)cc3)c5ccc(O)cc5)c1 InChIKey=GCBFPUAODJOKRS-UHFFFAOYSA-N InChI=1S/C28H29NO4/c1-31-24-11-12-26-27(19-24)33-17-13-25(20-3-7-22(30)8-4-20)28(26)21-5-9-23(10-6-21)32-18-16-29-14-2-15-29/h3-12,19,30H,2,13-18H2,1H3 InChI=1/C28H29NO4/c1-31-24-11-12-26-27(19-24)33-17-13-25(20-3-7-22(30)8-4-20)28(26)21-5-9-23(10-6-21)32-18-16-29-14-2-15-29/h3-12,19,30H,2,13-18H2,1H3 COc5ccc4C(c2ccc(OCCN1CCC1)cc2)=C(c3ccc(O)cc3)CCOc4c5 C01[X(C28H29N1O4)] 180 C01 553 COc1ccc2c(c1)OCCC(=C2c1ccc(cc1)OCCN1CCC1)c1ccc(cc1)O CO[C]1[CH][CH][C]2[C]([CH]1)OCCC(=C2[C]1[CH][CH][C]([CH][CH]1)OCCN1CCC1)[C]1[CH][CH][C]([CH][CH]1)O CO[C]1[CH][CH][C]2[C]([CH]1)OCCC(=C2[C]3[CH][CH][C]([CH][CH]3)OCCN4CCC4)[C]5[CH][CH][C](O)[CH][CH]5 InChIKey=GCBFPUAODJOKRS-UHFFFAOYSA-N InChI=1S/C28H29NO4/c1-31-24-11-12-26-27(19-24)33-17-13-25(20-3-7-22(30)8-4-20)28(26)21-5-9-23(10-6-21)32-18-16-29-14-2-15-29/h3-12,19,30H,2,13-18H2,1H3 InChI=1/C28H29NO4/c1-31-24-11-12-26-27(19-24)33-17-13-25(20-3-7-22(30)8-4-20)28(26)21-5-9-23(10-6-21)32-18-16-29-14-2-15-29/h3-12,19,30H,2,13-18H2,1H3 3197.1156650841 -1431.0116953 1-A 20912.7715 118 435 553 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58971 -20.58649 -20.58162 -20.56728 -15.53816 -11.29646 -11.29576 -11.29104 -11.28835 -11.28005 -11.27736 -11.27712 -11.24599 -11.24296 -11.23758 -11.23510 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12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 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 14069.0946 24567.6042 36178.4656 0.99997 -0.00803 -0.00156 0.00803 0.99997 -0.00093 0.00157 0.00092 1.00000 1 0.00616 0.00353 0.00239 0.12828 0.07346 0.04988 20.89 30.11 43.25 46.50 62.71 74.89 81.52 85.33 100.03 111.15 145.31 176.97 183.69 216.47 242.42 252.41 263.95 282.88 309.34 322.43 371.81 386.87 401.34 417.51 432.42 450.92 469.60 511.86 544.26 571.14 582.41 615.63 633.11 666.19 667.35 671.29 682.14 742.67 763.35 786.25 802.40 839.68 855.00 873.14 904.29 934.76 983.76 999.68 1006.63 1020.78 1028.80 1073.89 1118.43 1143.22 1145.07 1171.00 1191.21 1203.02 1250.10 1262.07 1303.87 1318.83 1319.46 1330.40 1336.48 1357.43 1363.45 1372.43 1389.81 1423.09 1441.61 1455.60 1468.84 1478.32 1505.37 1522.52 1539.06 1553.20 1559.41 1564.53 1580.17 1580.84 1596.26 1600.96 1627.38 1690.86 1695.30 1718.56 1719.87 1731.46 1735.20 1746.68 1768.40 1778.32 1783.10 1793.54 1824.03 1833.92 1846.22 1862.03 1866.63 1867.24 1879.14 1893.40 1917.03 1926.83 1933.74 1948.91 1950.16 1956.12 1978.82 2004.70 2006.01 2022.63 2025.69 2027.53 2040.73 2045.83 2076.66 2092.21 2096.97 2103.44 2121.01 2168.41 2177.93 2227.82 2228.07 2262.17 2285.70 2288.93 2305.12 2347.49 2350.63 2357.13 2360.65 2375.38 2387.04 2389.20 2392.62 2398.32 2418.71 2430.62 2434.46 2440.06 2529.41 2539.95 2565.18 2610.66 2615.49 2619.48 2650.17 4506.53 4542.90 4582.02 4605.57 4608.96 4617.18 4641.03 4647.16 4666.15 4683.71 4694.59 4698.32 4707.48 4719.35 4738.36 4754.42 4786.72 4803.79 4839.84 4848.59 4860.36 4861.36 4866.04 4886.28 4890.90 4898.56 4899.67 4903.25 5924.90 0.554139 0.581656 0.582600 0.492371 -1430.457557 -1430.430039 -1430.429095 -1430.519324 3.026295D-04 MUNgauss RevisionA2.0 retrievium 30-Nov-2020 DUDE COc5ccc4C(c2ccc(OCCN1CCC1)cc2)=C(c3ccc(O)cc3)CCOc4c5 517134 CHEMBL511269 RHF 6-31G(d) (6D,10F) C1 443.209659 |X|Y|Z| 113.826987 84.141889 29.602785 65.694653 30 6 7 8 27 1 2 |36.858105| |13.616452|73.516695| |8.020649|25.142002|36.858105| |6.731434|13.987972|13.733167|36.858105| |4.520111|9.259073|7.963860|13.736959|36.858105| |3.770639|8.151003|6.777401|7.828250|13.731209|36.858105| |2.921296|5.995638|4.425268|5.006560|7.567079|12.750882|36.858105| |2.663240|5.237994|3.704101|4.357494|6.289353|7.502097|12.722086|36.858105| |2.355989|4.498312|3.065260|3.615330|4.872278|5.207765|7.534738|13.648585|36.858105| |2.143215|4.004563|2.649541|3.097730|3.909455|3.958346|5.016968|7.876715|13.829534|36.858105| |2.145625|3.993072|2.617026|3.030371|3.712079|3.714682|4.425579|6.785922|7.930559|13.686700|36.858105| |1.920749|3.518611|2.248076|2.563295|2.999551|2.954185|3.371390|4.586702|5.295058|8.194028|14.123431|73.516695| |1.856044|3.381264|2.127188|2.385885|2.704997|2.654211|2.916419|3.762999|3.978906|5.245227|7.976755|24.099013|36.858105| |1.647592|2.970124|1.837811|2.041053|2.265286|2.212429|2.403225|2.959608|3.192660|4.074383|5.215319|14.293846|12.569358|36.858105| |1.654488|2.941244|1.808593|2.029034|2.228595|2.127503|2.273283|2.757852|3.015424|3.801631|4.555623|11.534501|7.745912|13.236028|53.358707| |1.488441|2.631316|1.597720|1.771320|1.914811|1.832623|1.941032|2.283714|2.480002|3.000497|3.398228|7.831687|4.990423|7.641892|17.728181|36.858105| |1.514948|2.663145|1.619501|1.813452|1.964711|1.860296|1.970503|2.310126|2.567361|3.109721|3.354628|7.494755|4.275920|5.586119|12.339206|12.385408|36.858105| |1.654253|2.934919|1.812123|2.052780|2.274464|2.158894|2.328779|2.824115|3.222879|4.141624|4.569437|11.143403|5.891851|7.546873|17.676525|9.122173|12.384526|36.858105| |2.369326|4.480657|2.979661|3.428472|4.236199|4.324105|5.018212|7.850705|6.889307|7.947197|13.743201|13.980440|6.693192|4.394772|5.198755|2.956505|2.848500|3.628975|36.858105| |2.670596|5.215116|3.620298|4.187806|5.582580|6.172509|7.596915|13.738251|8.011064|6.919410|7.943029|9.241282|4.500392|3.334820|4.113277|2.453446|2.414325|2.963164|13.718725|36.858105| |2.575845|5.285389|3.731125|3.962377|5.264125|7.769574|14.248072|7.611524|6.026842|4.246766|3.676395|5.215583|2.554221|2.163693|2.780638|1.774734|1.804065|2.105570|3.953953|5.291436|36.858105| |2.147733|4.291820|2.893877|3.059691|3.839001|4.929046|7.601992|6.307732|5.893428|4.354353|3.681075|5.319302|2.573888|2.205191|2.797597|1.793516|1.818431|2.129148|3.769447|4.656272|12.739299|36.858105| |1.988307|3.949917|2.619976|2.742539|3.355884|4.185353|6.007075|5.850499|5.397548|4.363093|3.888866|5.657104|2.769583|2.352421|2.908601|1.858348|1.851482|2.175609|4.043343|4.832175|7.555159|13.655646|36.858105| |1.739104|3.402496|2.202523|2.296746|2.721999|3.220563|4.233063|4.327516|4.359547|3.852203|3.464217|5.306853|2.618336|2.286468|2.810828|1.819947|1.808283|2.108476|3.445024|3.796563|5.018700|7.862404|13.803275|36.858105| |1.634580|3.170815|2.033111|2.124752|2.489785|2.877751|3.674046|3.675805|3.903212|3.478253|3.034593|4.769525|2.341371|2.098291|2.628599|1.725402|1.738456|2.007394|2.921077|3.163517|4.432850|6.797621|7.954280|13.730522|36.858105| |1.465711|2.816552|1.778271|1.850183|2.123740|2.394593|2.926757|2.979463|3.183131|2.985758|2.672283|4.355979|2.173601|1.994151|2.495541|1.661865|1.668549|1.903053|2.546480|2.667773|3.372135|4.585558|5.275039|8.123090|14.082500|73.516695| |1.716316|3.332743|2.148524|2.257077|2.662382|3.080745|3.953551|3.774216|4.073759|3.471151|2.929912|4.558971|2.218002|1.990942|2.544336|1.672416|1.710227|1.969745|2.808811|3.107042|5.020754|7.862584|6.903794|7.949761|13.760519|14.102944|36.858105| |1.955781|3.845390|2.533053|2.677903|3.248934|3.897425|5.289496|4.668323|4.881760|3.830909|3.175579|4.777130|2.309085|2.034755|2.616568|1.702166|1.746352|2.023864|3.109708|3.608877|7.582698|13.713404|8.006298|6.903292|7.948222|9.272492|13.743999|36.858105| |2.671748|5.615165|3.916305|3.896764|4.760690|6.746668|7.727976|4.905997|4.158971|3.207832|2.867565|4.249800|2.138116|1.853361|2.409938|1.564831|1.593641|1.821253|3.074384|3.892546|12.531827|7.429094|5.213636|3.955824|3.706008|5.244685|4.290263|6.072591|36.858105| |2.768689|6.035120|4.153432|3.809376|4.353372|6.156576|6.048318|4.175232|3.428847|2.782123|2.607545|3.918286|2.025585|1.755897|2.268252|1.479241|1.488095|1.685092|2.887876|3.640471|7.530414|5.400154|4.523138|3.529376|3.198002|4.688080|3.461214|4.392761|12.484786|36.858105| |3.203688|7.267387|5.259690|4.618492|5.249189|7.952953|6.633959|4.599289|3.551399|2.907906|2.812693|4.181490|2.188654|1.868811|2.406464|1.556878|1.555188|1.766355|3.248409|4.240877|6.636696|4.682768|4.205769|3.265237|2.873970|4.279904|3.007069|3.701569|7.774419|13.494211|73.516695| |3.990763|9.425653|7.934344|6.876642|8.014495|13.587994|7.543244|5.106960|3.854253|3.120886|3.013465|4.432132|2.307302|1.957311|2.552553|1.640781|1.651139|1.881692|3.504781|4.672444|6.310247|4.285411|3.762322|2.960721|2.649818|3.975107|2.808000|3.469128|6.804718|8.008345|24.965015|36.858105| |5.267086|14.608006|13.706022|7.937131|6.928909|7.854566|5.017740|3.907242|3.137765|2.659511|2.614048|3.956436|2.099875|1.807095|2.383435|1.547162|1.557379|1.749405|3.007369|3.766593|4.371773|3.280358|2.959182|2.439816|2.225286|3.423439|2.347315|2.802320|4.828674|5.664717|14.450983|13.819169|36.858105| |17.559999|16.438879|7.036662|6.735035|4.578753|3.719138|2.914508|2.653209|2.390736|2.166824|2.135283|3.401862|1.829022|1.632628|2.249845|1.490107|1.532422|1.672131|2.315422|2.599473|2.585568|2.156761|1.971015|1.728823|1.641046|2.614628|1.740165|1.988824|2.692490|2.709312|5.412992|3.794468|4.765476|0.500000| |17.644214|17.006080|5.885240|4.906142|3.622092|3.169309|2.541237|2.330043|2.083515|1.914242|1.922471|3.096242|1.696308|1.520786|2.077726|1.385719|1.406065|1.521375|2.110300|2.346416|2.290437|1.943532|1.813758|1.603359|1.512527|2.429465|1.582366|1.784718|2.397412|2.515683|5.096014|3.416537|4.422568|0.299987|0.500000| |17.561363|16.440525|7.045257|6.738841|4.586447|3.723809|2.917999|2.743323|2.422888|2.235181|2.274359|3.630289|1.991060|1.759513|2.412139|1.587048|1.609788|1.758953|2.533593|2.820636|2.524059|2.122214|1.988062|1.740985|1.626507|2.598032|1.694171|1.920559|2.542163|2.616644|5.440323|3.800419|4.773455|0.298980|0.299968|0.500000| |7.435913|12.449222|8.853186|17.766619|8.952511|5.618316|4.101013|3.808499|3.322379|2.946747|2.901264|4.457933|2.349376|2.033145|2.796979|1.801660|1.858401|2.086324|3.209544|3.723734|3.342020|2.693931|2.442016|2.088640|1.951980|3.058154|2.069012|2.412181|3.260009|3.148969|6.517037|4.958134|5.630942|0.223752|0.145553|0.223593|0.500000| |3.920691|7.469685|5.671765|8.978769|17.727098|8.961855|7.024279|6.900170|5.736137|4.603469|4.261398|6.028816|2.979937|2.480764|3.364399|2.098375|2.180698|2.562059|4.685009|5.933332|4.916602|3.785773|3.323003|2.733399|2.521021|3.834365|2.699555|3.264418|4.215142|3.705508|7.509580|5.678426|4.981868|0.113166|0.089167|0.113438|0.218240|0.500000| |2.278153|4.343846|2.939311|3.434091|4.545151|4.877287|6.968682|8.904996|17.733765|8.987446|5.653258|7.621095|3.329703|2.804366|3.676597|2.281095|2.399972|2.947214|4.961832|5.677074|6.327227|6.429183|5.311695|4.392402|4.185274|5.973581|4.666773|5.810489|4.433618|3.464439|6.095596|3.686797|3.017107|0.065083|0.056187|0.064119|0.087996|0.146442|0.500000| |1.963957|3.628546|2.359048|2.731788|3.336158|3.333687|4.082372|5.610563|8.903299|17.733265|8.956046|13.475177|4.862159|4.095900|5.365225|3.156134|3.377470|4.584887|5.664303|4.977421|3.656418|3.862801|3.835647|3.573507|3.376698|5.289965|3.394497|3.614358|2.873662|2.485175|4.525202|2.707562|2.353337|0.055590|0.049118|0.056649|0.073388|0.108222|0.215557|0.500000| |1.997577|3.609379|2.265453|2.562799|2.870963|2.751103|2.930732|3.741711|3.812490|4.786720|7.091202|16.506038|17.570225|8.905653|9.787504|4.742578|4.122665|5.414512|6.796953|4.610820|2.518722|2.468615|2.610368|2.422607|2.171390|3.560839|2.085652|2.203327|2.130134|2.034564|3.966197|2.389964|2.203214|0.054437|0.050526|0.060301|0.070837|0.088147|0.088594|0.120309|0.500000| |1.811377|3.336571|2.098694|2.313504|2.620057|2.636411|2.919825|3.729119|3.803721|4.777547|7.063628|16.550492|17.531493|8.885354|7.667765|4.130184|3.521673|4.504801|6.736606|4.579895|2.582917|2.631857|2.914472|2.772389|2.428447|4.019954|2.256346|2.332907|2.158374|2.071456|3.991581|2.326782|2.105084|0.049205|0.046181|0.053749|0.062442|0.078383|0.088453|0.120242|0.299574|0.500000| |1.586581|2.855806|1.751038|1.922109|2.102226|2.058338|2.204636|2.655334|2.781826|3.394490|4.261573|10.299445|9.010502|17.530841|12.643077|7.075254|4.818143|5.614031|3.877277|3.023765|1.995149|2.024612|2.169772|2.114540|1.935689|3.292277|1.829692|1.865988|1.730510|1.661342|3.156365|1.850041|1.723733|0.043409|0.040930|0.047170|0.053228|0.063029|0.068461|0.093190|0.212798|0.221538|0.500000| |1.550085|2.809702|1.739602|1.919006|2.140284|2.120847|2.340921|2.865632|3.152643|4.039348|4.912756|13.135349|8.912860|17.416693|12.268117|6.715422|5.220664|6.903110|4.030085|3.144091|2.145490|2.233268|2.405714|2.388753|2.205966|3.773493|2.070577|2.082130|1.834256|1.728742|3.231433|1.882680|1.726854|0.042788|0.039853|0.045578|0.052749|0.064796|0.078007|0.116624|0.174327|0.212426|0.301232|0.500000| |1.465954|2.578040|1.552956|1.712527|1.828059|1.742824|1.821399|2.116266|2.253071|2.660624|3.021738|6.681973|4.384731|6.170537|12.026548|17.560569|8.411378|6.315817|2.728222|2.291901|1.664055|1.668179|1.726363|1.684471|1.593794|2.729908|1.546855|1.579319|1.480677|1.411741|2.653425|1.574364|1.498105|0.040626|0.038071|0.043590|0.048606|0.055226|0.057648|0.076223|0.121910|0.104152|0.179801|0.146444|0.500000| |1.395321|2.481341|1.505862|1.655340|1.793155|1.738361|1.856848|2.172705|2.364487|2.847720|3.186833|7.301683|4.600250|7.164535|12.115764|17.457641|8.685456|7.169505|2.772859|2.319455|1.717664|1.757777|1.837202|1.823874|1.734349|3.001951|1.666716|1.676937|1.515854|1.434371|2.667296|1.565863|1.471157|0.038761|0.036206|0.041080|0.046428|0.054158|0.060810|0.083864|0.115863|0.110993|0.191131|0.202951|0.299167|0.500000| |1.556616|2.710217|1.638988|1.842317|1.974184|1.844482|1.924665|2.234020|2.453834|2.909102|3.121229|6.692091|3.833679|4.658411|9.739194|8.679750|17.598838|8.673031|2.715496|2.334496|1.753302|1.744841|1.759798|1.703782|1.639361|2.784005|1.626222|1.674462|1.561238|1.461176|2.724483|1.639492|1.560456|0.043852|0.040145|0.046148|0.053019|0.060995|0.063938|0.086356|0.107809|0.088471|0.116110|0.116937|0.211603|0.172913|0.500000| |1.415652|2.492104|1.511156|1.681676|1.819170|1.734408|1.844219|2.135558|2.387698|2.851979|2.983691|6.484488|3.602982|4.569381|8.581154|8.465162|17.605830|8.458247|2.541152|2.196479|1.710287|1.738861|1.767216|1.744422|1.696115|2.920751|1.670544|1.690047|1.519563|1.415168|2.606512|1.547578|1.459437|0.039897|0.036633|0.041501|0.047748|0.055785|0.063041|0.087452|0.094846|0.085475|0.112043|0.127118|0.178067|0.214040|0.299290|0.500000| |1.586044|2.838225|1.758987|1.980169|2.215229|2.138790|2.352595|2.859878|3.344171|4.379904|4.652438|11.463539|5.605078|7.076333|12.118967|7.169417|8.672425|17.491032|3.579579|2.945097|2.157146|2.225766|2.290504|2.254440|2.161027|3.668732|2.106037|2.134787|1.853847|1.703670|3.143123|1.864602|1.717209|0.044571|0.040572|0.046459|0.055312|0.068977|0.085813|0.141539|0.133375|0.124388|0.144746|0.212676|0.142516|0.188201|0.172689|0.213307|0.500000| |1.797935|3.177579|1.974975|2.274874|2.539399|2.368677|2.545168|3.118297|3.612646|4.689968|5.046869|11.612257|5.643378|6.083058|12.010956|6.322278|8.421974|17.604527|3.936923|3.234913|2.268759|2.261778|2.273737|2.168207|2.065447|3.433715|2.054972|2.143715|1.953255|1.791739|3.348721|2.033257|1.888437|0.050778|0.045584|0.053248|0.064681|0.081107|0.091421|0.144562|0.152645|0.119368|0.130698|0.151112|0.139626|0.142616|0.211595|0.178069|0.299912|0.500000| |2.307918|4.334334|2.822554|3.176649|3.730921|3.760995|4.109762|5.627714|4.964335|5.636407|8.867847|12.464673|7.405206|4.672663|5.356440|3.042465|2.833469|3.531285|17.762107|8.952458|3.352653|3.202382|3.478702|3.047075|2.595604|4.110034|2.471390|2.688902|2.720964|2.636280|5.330161|3.203768|2.834498|0.061886|0.057604|0.069305|0.083619|0.111154|0.107739|0.124170|0.226569|0.223430|0.119307|0.114844|0.079402|0.079029|0.075288|0.069576|0.094821|0.103627|0.500000| |2.872371|5.738084|4.020296|4.475021|5.729675|6.582727|7.047306|8.936737|5.673151|4.975995|5.661792|7.460083|3.907376|2.981994|3.689354|2.245099|2.187534|2.612312|8.963801|17.714763|5.018673|4.252572|4.438281|3.493335|2.904393|4.396431|2.845069|3.296765|3.903892|3.884627|8.593260|5.332857|4.290782|0.075916|0.070053|0.084615|0.107664|0.154285|0.124432|0.107939|0.114033|0.113155|0.077321|0.077720|0.059194|0.059075|0.059258|0.055443|0.071488|0.078225|0.218113|0.500000| |2.079940|4.161762|2.775503|2.886213|3.532815|4.476408|6.307900|6.353791|5.290100|4.378937|4.153070|5.944300|2.969469|2.467518|3.011329|1.908421|1.877440|2.210336|4.607549|5.710432|7.002110|8.918114|17.736993|8.978786|5.663897|7.584748|4.969563|5.676928|4.908918|4.615867|8.197337|4.069346|3.167342|0.056586|0.052611|0.058206|0.070823|0.095797|0.134138|0.103434|0.078296|0.088525|0.063695|0.069315|0.049498|0.052228|0.049651|0.049347|0.063981|0.064048|0.111091|0.150795|0.500000| |1.644877|3.203309|2.051611|2.127372|2.481277|2.886429|3.645538|3.835080|3.823670|3.563029|3.353593|5.270301|2.658375|2.333739|2.823553|1.834709|1.798404|2.088085|3.359690|3.575002|4.085608|5.604563|8.891089|17.735342|8.955332|13.277592|5.662978|4.969211|3.338708|3.117825|5.276534|2.693436|2.261110|0.045156|0.042347|0.045985|0.054113|0.069181|0.103484|0.092264|0.067677|0.079835|0.060493|0.068282|0.047249|0.051480|0.046834|0.048196|0.062155|0.058862|0.084666|0.092693|0.215268|0.500000| |1.417991|2.713230|1.704788|1.774610|2.024060|2.258803|2.721333|2.742057|2.960467|2.778570|2.466271|4.053688|2.022928|1.876060|2.376466|1.594780|1.614512|1.827883|2.333865|2.440995|3.136073|4.143359|4.433879|6.052679|10.000358|35.768832|7.778630|4.982793|2.811420|2.490284|4.010454|2.112266|1.835398|0.039714|0.036797|0.039152|0.046054|0.057235|0.088494|0.078112|0.052041|0.057832|0.048389|0.055407|0.040956|0.045001|0.042198|0.044419|0.055064|0.051619|0.058965|0.062939|0.101136|0.152058|0.500000| |1.613244|3.106073|1.978675|2.075661|2.406853|2.717624|3.344879|3.203153|3.499762|3.069079|2.604260|4.142460|2.028381|1.851995|2.392392|1.590433|1.637997|1.866218|2.471986|2.686238|4.096423|5.613821|4.965240|5.643632|8.902555|12.710134|17.682347|8.907043|3.715793|3.039486|4.702157|2.500372|2.137315|0.045690|0.041520|0.044106|0.053421|0.068062|0.112233|0.085558|0.053103|0.056878|0.047378|0.053635|0.040896|0.044132|0.043336|0.044800|0.055517|0.053966|0.061100|0.068754|0.107759|0.124343|0.229772|0.500000| |2.012653|3.946030|2.595427|2.752098|3.314302|3.897541|5.019820|4.275753|4.498251|3.534981|2.923057|4.438889|2.153782|1.914484|2.500104|1.635884|1.694875|1.949076|2.854777|3.305627|7.008975|8.909570|5.666100|4.966555|5.664220|7.493287|8.971658|17.700343|6.392503|4.362353|6.414094|3.470778|2.844016|0.057511|0.050952|0.054412|0.069086|0.092506|0.154108|0.093983|0.057701|0.059709|0.048819|0.054077|0.042282|0.044558|0.045476|0.045667|0.056729|0.057776|0.068982|0.084573|0.124338|0.107781|0.117012|0.216871|0.500000| |2.949469|6.209192|4.393339|4.419958|5.349050|7.155112|7.046594|4.609451|4.001936|3.106026|2.763675|4.122217|2.073534|1.807394|2.381929|1.550246|1.592098|1.811913|2.936020|3.669756|8.869082|5.685359|4.187059|3.329202|3.196145|4.651016|3.724229|5.072284|17.554046|8.889688|12.004022|7.020082|5.254648|0.084239|0.072705|0.076726|0.101895|0.129363|0.120295|0.077989|0.057925|0.057404|0.046824|0.049398|0.040828|0.041484|0.043635|0.042156|0.050888|0.054423|0.072345|0.101744|0.110861|0.079612|0.070278|0.093020|0.158851|0.500000| |2.353160|4.840751|3.241349|3.221814|3.793396|4.900579|5.684546|4.100684|3.706021|2.939764|2.610241|3.944041|1.985520|1.745635|2.271273|1.487850|1.518261|1.724575|2.731857|3.322503|8.830021|7.300243|5.083179|4.070325|4.005675|5.643071|4.854823|6.944524|17.575300|8.979810|10.129353|4.944155|3.856133|0.066244|0.059574|0.062174|0.077384|0.096912|0.112697|0.074951|0.054445|0.055754|0.045325|0.048425|0.039055|0.040280|0.041192|0.040510|0.049121|0.051035|0.067695|0.091246|0.125795|0.094076|0.085171|0.118279|0.213803|0.303564|0.500000| |2.799967|6.147433|4.078434|3.605562|3.895056|5.063070|4.685891|3.446137|2.934729|2.438625|2.293963|3.509882|1.828984|1.605649|2.091065|1.375741|1.387833|1.555755|2.509527|3.066432|5.504551|4.272526|3.643512|2.997219|2.800068|4.211156|3.052228|3.750169|8.838440|17.520063|16.530885|6.704978|5.532609|0.076381|0.071630|0.071998|0.083931|0.092310|0.083227|0.061489|0.051229|0.051704|0.042384|0.043880|0.036620|0.037052|0.038018|0.036779|0.043565|0.045896|0.064468|0.090567|0.101821|0.074647|0.063016|0.076724|0.107090|0.220304|0.211446|0.500000| |2.436895|5.196378|3.458903|3.214579|3.645117|4.918865|5.226635|3.887060|3.242568|2.682710|2.537906|3.844593|1.999149|1.737768|2.223233|1.453893|1.452761|1.643030|2.807304|3.474812|6.646410|5.516770|4.943472|3.885062|3.448869|5.048267|3.623535|4.448327|8.817014|17.617840|17.030708|5.929531|4.506604|0.065864|0.062351|0.064787|0.075750|0.089145|0.090321|0.066855|0.055278|0.057462|0.045846|0.047838|0.038527|0.039404|0.039416|0.038469|0.046402|0.048097|0.071802|0.102985|0.141279|0.095937|0.073639|0.087303|0.117189|0.174173|0.219632|0.300882|0.500000| 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