Version2.0 2020-07-17T11:56:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@H](C)CNc5ccccc5N)C C10048460 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@H](C)CNc5ccccc5N)C C01[X(C27H31N7O2)] 195 C1 602 C[C@@H](Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1cccc(c1C)C)C)CNc1ccccc1N C[C@@H](Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1cccc(c1C)C)C)CNc1ccccc1N C[C@H](CNc1ccccc1N)CN2C(=O)N(C)c3nc4n(cc(C)n4c5cccc(C)c5C)c3C2=O InChIKey=DXVBBUZLKOSNRA-MRXNPFEDSA-N InChI=1S/C27H31N7O2/c1-16(13-29-21-11-7-6-10-20(21)28)14-33-25(35)23-24(31(5)27(33)36)30-26-32(23)15-18(3)34(26)22-12-8-9-17(2)19(22)4/h6-12,15-16,29H,13-14,28H2,1-5H3/t16-/m1/s1 InChI=1/C27H31N7O2/c1-16(13-29-21-11-7-6-10-20(21)28)14-33-25(35)23-24(31(5)27(33)36)30-26-32(23)15-18(3)34(26)22-12-8-9-17(2)19(22)4/h6-12,15-16,29H,13-14,28H2,1-5H3/t16-/m1/s1 Cc1cccc(c1C)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@H](C)CNc5ccccc5N)C C01[X(C27H31N7O2)] 195 C01 602 C[C@@H](Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1cccc(c1C)C)C)CNc1ccccc1N C[C@@H](CN1C(=O)N(C)[C]2[C]([C]1=O)[N]1[C]([N]2)N(C(=C1)C)[C]1[CH][CH][CH][C]([C]1C)C)CN[C]1[CH][CH][CH][CH][C]1N C[C]1[CH][CH][CH][C]([C]1C)N2[C]3[N][C]4[C](N3C=C2C)C(=O)N(C[C@H](C)CN[C]5[CH][CH][CH][CH][C]5N)C(=O)N4C InChIKey=DXVBBUZLKOSNRA-MRXNPFEDSA-N InChI=1S/C27H31N7O2/c1-16(13-29-21-11-7-6-10-20(21)28)14-33-25(35)23-24(31(5)27(33)36)30-26-32(23)15-18(3)34(26)22-12-8-9-17(2)19(22)4/h6-12,15-16,29H,13-14,28H2,1-5H3/t16-/m1/s1 InChI=1/C27H31N7O2/c1-16(13-29-21-11-7-6-10-20(21)28)14-33-25(35)23-24(31(5)27(33)36)30-26-32(23)15-18(3)34(26)22-12-8-9-17(2)19(22)4/h6-12,15-16,29H,13-14,28H2,1-5H3/t16-/m1/s1 3660.5843574263 -1571.4172065 1-A 31081.4346 129 473 602 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3220.2436 3238.6912 3256.3145 3257.8235 3271.7314 3274.2131 3275.3216 3288.1030 3290.0089 3292.3518 3302.1146 3320.3714 3325.4658 3341.0134 3348.6621 3359.8383 3361.7199 3373.0646 3377.0540 3379.5499 3393.2080 3397.9667 3495.7013 3748.4956 3770.1234 3852.3448 5.3874 4.3816 4.2095 4.3275 4.8993 4.3890 4.5169 3.5355 3.4967 2.9285 1.2560 1.5641 3.1406 4.1574 2.8739 3.6819 3.4133 2.3632 1.8043 1.1001 2.5402 2.9093 2.8104 4.3263 1.1863 3.9380 3.0857 3.4952 3.1854 2.5006 4.7128 3.6682 2.7222 2.0909 2.7411 5.6193 4.3686 3.5992 4.3343 4.7707 5.5437 4.0343 2.4590 2.7725 4.2203 4.4563 4.0041 4.0084 4.0958 3.2583 5.3229 5.4299 3.3066 5.0669 5.4816 4.6970 4.1371 4.5183 6.9102 1.5791 11.7909 2.7755 3.1036 10.4451 4.1042 1.8799 3.2264 4.7111 3.3854 4.3156 6.0565 1.5480 1.5202 4.1493 2.4138 1.7737 3.6699 3.1038 1.5684 2.0412 2.1545 1.5344 1.7656 1.4705 1.4054 4.2490 1.7508 1.2824 1.7460 1.5229 1.5572 2.3695 1.4808 2.1792 2.4337 1.4469 1.6655 2.5658 2.4832 2.8030 2.6930 2.4600 2.0266 2.2504 3.5354 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4627.48 4627.92 4633.21 4659.75 4685.11 4687.28 4707.29 4710.86 4712.46 4730.85 4733.59 4736.96 4751.01 4777.27 4784.60 4806.97 4817.98 4834.06 4836.77 4853.09 4858.83 4862.42 4882.07 4888.92 5029.53 5393.25 5424.37 5542.66 0.596530 0.628544 0.629489 0.528952 -1570.820676 -1570.788662 -1570.787718 -1570.888254 3.371994D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1cccc(c1C)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@H](C)CNc5ccccc5N)C C10048460 RHF 6-31G(d) (6D,10F) C1 485.253923 |X|Y|Z| 166.195263 37.513284 45.313016 65.615871 28 6 7 22 6 |36.858105| |12.596566|36.858105| |7.599993|13.744519|36.858105| |5.020349|7.877527|13.748296|36.858105| |4.433344|6.840135|7.986795|13.826472|36.858105| |5.018817|7.947504|6.944837|7.968892|13.729327|36.858105| |7.513505|13.575964|7.904418|6.797833|7.845913|13.694730|36.858105| |6.482836|7.535486|5.016513|4.415714|4.988938|7.515423|12.600821|36.858105| |3.822160|5.124712|4.565267|5.175796|7.897669|13.319037|7.778924|6.549092|53.358707| |3.210215|4.036513|3.701140|4.161840|5.771730|7.496561|5.487912|5.125287|18.432967|36.858105| |2.722919|3.263799|3.011062|3.326378|4.342152|5.273158|4.227971|4.246588|11.656030|14.208745|36.858105| |2.777148|3.322392|3.039315|3.332814|4.339163|5.355512|4.335767|4.414269|11.928943|8.711832|13.737689|53.358707| |3.333680|4.178151|3.752395|4.139883|5.673600|7.705506|5.800355|5.570029|19.211955|8.583755|8.568318|19.474429|36.858105| |3.255723|3.948747|3.565344|3.829904|4.864279|6.050517|5.125432|5.019742|10.451697|5.386121|5.534006|11.563064|14.402025|53.358707| |2.680813|3.106303|2.851466|3.044633|3.717675|4.362997|3.839953|3.951039|7.584863|4.631915|5.356738|11.946514|9.198194|19.267548|36.858105| |2.472884|2.857880|2.635653|2.840167|3.506971|4.109383|3.551570|3.698642|7.676245|5.321703|7.189694|18.612641|8.784917|11.406820|13.925262|36.858105| |2.101391|2.362591|2.204981|2.355216|2.806071|3.165070|2.826109|2.969178|5.509960|4.090576|5.465794|10.094890|5.338337|7.160058|7.734145|13.436951|36.858105| |1.948660|2.177191|2.043654|2.184301|2.583329|2.879188|2.578854|2.707500|4.967552|3.934954|5.395421|8.474686|4.447818|5.624094|5.321931|8.148788|15.829920|73.516695| |1.966432|2.173427|2.037794|2.152824|2.498609|2.768621|2.535935|2.664696|4.554698|3.242501|3.970790|7.004638|4.312063|6.399662|7.023570|8.160355|13.570745|14.816418|53.358707| |2.058809|2.267705|2.125280|2.229946|2.560417|2.827221|2.621671|2.739336|4.505097|3.045564|3.532863|6.327234|4.321609|7.113954|8.025509|6.945300|7.670278|9.482103|18.681124|36.858105| |1.886294|2.044231|1.929749|2.008097|2.254162|2.446266|2.307862|2.404582|3.766569|2.559759|2.889686|4.897403|3.441995|5.579148|5.492553|4.831151|5.344603|7.452704|11.478235|15.870188|73.516695| |2.390467|2.678919|2.489299|2.615817|3.046723|3.424659|3.151587|3.262999|5.467673|3.476721|3.917316|7.448822|5.589486|10.733917|13.935802|8.028461|6.666405|8.340461|10.931714|13.841050|15.133629|53.358707| |2.439575|2.691123|2.517045|2.603002|2.929449|3.219929|3.057231|3.119323|4.787478|2.976699|3.170784|5.600322|4.540471|8.833438|7.701782|5.115606|4.414309|6.137512|7.008818|7.838596|12.633248|17.779550|36.858105| |1.712722|1.864125|1.762282|1.852097|2.107203|2.292241|2.128676|2.234289|3.663661|2.675663|3.208252|5.185135|3.262231|4.696822|4.557233|5.148921|7.732007|12.302884|17.649028|7.851371|12.643542|7.023816|3.923942|36.858105| |1.644797|1.757273|1.644956|1.699844|1.906281|2.090637|1.991939|2.136333|3.280935|2.396678|2.809822|4.414559|2.852470|4.102765|3.799471|4.131817|5.518807|9.280481|10.284867|5.973286|10.681113|5.847954|3.496455|12.414834|36.858105| |1.675960|1.779089|1.660588|1.704274|1.897960|2.083675|2.006140|2.158963|3.225058|2.305168|2.647762|4.216990|2.816003|4.173614|3.853304|3.940393|4.881565|7.749793|9.403780|6.511199|12.958890|6.271530|3.879315|8.948064|17.538642|0.500000| |1.716939|1.825312|1.686438|1.729125|1.945424|2.171514|2.090358|2.295509|3.442664|2.562427|3.037605|4.670378|2.959452|4.124684|3.734026|4.230320|5.544433|9.921836|8.536326|4.912673|8.094763|5.353133|3.193162|7.470115|12.447045|0.246633|36.858105| |1.452831|1.542234|1.458150|1.507232|1.670662|1.802867|1.721412|1.826153|2.781284|2.052694|2.365819|3.583909|2.348216|3.331901|2.951108|3.179805|4.037022|7.237179|6.773862|4.230389|7.947651|4.449973|2.812847|7.668158|12.420438|0.247934|7.515863|36.858105| |1.383980|1.450495|1.366418|1.397951|1.532917|1.656218|1.605410|1.717403|2.517451|1.850832|2.093626|3.132452|2.094322|2.976061|2.565574|2.701312|3.247915|5.780044|5.226081|3.487661|6.658724|3.853180|2.528510|5.048956|7.751792|0.200724|6.312690|13.159140|53.358707| |1.256008|1.311077|1.242934|1.271271|1.383370|1.480494|1.437059|1.526010|2.226990|1.644468|1.839172|2.704836|1.823641|2.572705|2.170587|2.276372|2.673264|4.827304|4.155288|2.818881|5.372526|3.216978|2.156672|3.853137|5.039475|0.132747|4.414626|7.718050|18.471376|36.858105| |1.191444|1.249090|1.192920|1.227384|1.335300|1.416753|1.365148|1.434800|2.130233|1.583821|1.771796|2.580347|1.733486|2.426293|2.036415|2.153159|2.533980|4.655191|3.873805|2.598804|4.904613|2.986621|1.999893|3.612217|4.306780|0.109770|3.751383|6.545921|10.519455|13.765238|36.858105| |1.096806|1.144773|1.097266|1.126777|1.217399|1.284251|1.241656|1.300317|1.913297|1.423771|1.575325|2.270234|1.539214|2.147018|1.773202|1.862038|2.142721|3.936230|3.210280|2.190806|4.119952|2.579448|1.754340|2.865837|3.277960|0.085799|2.970972|4.428317|6.955080|7.885511|13.681726|36.858105| |1.061070|1.099832|1.051921|1.073892|1.153940|1.218893|1.187655|1.248657|1.803151|1.336582|1.466395|2.109984|1.443686|2.018532|1.652083|1.718021|1.944800|3.539472|2.901070|2.013833|3.797286|2.403392|1.655343|2.517854|2.913784|0.078443|2.711942|3.723404|6.179634|6.818492|7.942395|13.843181|36.858105| |1.105767|1.141225|1.085459|1.102576|1.184166|1.258466|1.233886|1.307307|1.860268|1.372185|1.503653|2.175912|1.494116|2.099794|1.720706|1.778164|2.005120|3.612751|3.012629|2.110142|3.999966|2.517486|1.740125|2.594389|3.112602|0.085669|2.935299|3.906629|7.073738|7.903157|6.906620|7.970492|13.692609|36.858105| |1.201902|1.243258|1.176616|1.195002|1.290297|1.380734|1.353393|1.442726|2.055110|1.511878|1.669349|2.440400|1.667288|2.354820|1.954154|2.022383|2.309357|4.135653|3.530173|2.460173|4.690776|2.884993|1.974664|3.097898|3.933207|0.108992|3.668838|5.105574|10.823227|13.533338|7.928806|6.856937|7.900158|13.809378|36.858105| |1.254861|1.289578|1.212402|1.222816|1.317416|1.419156|1.403853|1.510891|2.104779|1.537341|1.688741|2.482271|1.710022|2.430901|2.010404|2.056407|2.314571|4.081088|3.544797|2.518267|4.813151|2.982000|2.060239|3.013603|3.910425|0.113563|3.782529|4.594628|9.592227|7.892724|5.181616|4.549996|5.128684|7.799029|13.518281|53.358707| |3.167505|3.927520|3.695018|4.127887|5.345084|6.207176|4.959692|4.512667|10.213671|12.757059|7.422569|7.088903|5.226298|5.256271|3.402232|3.773941|3.154375|5.585563|3.546683|2.460195|3.791284|3.722114|2.429694|2.241504|2.047552|0.054722|2.192466|1.797951|2.236251|1.481322|1.435148|1.304512|1.230244|1.258785|1.373525|1.897146|36.858105| |17.553026|8.814162|5.856640|4.277879|3.963767|4.601245|6.729411|6.683170|5.008300|3.058241|2.666132|3.797041|3.358498|4.625477|2.803670|2.537720|2.156637|3.520581|2.780214|2.166103|3.541916|3.448108|2.628260|1.773491|1.715604|0.048975|1.790296|1.507410|1.962566|1.303627|1.229432|1.129554|1.095413|1.146786|1.250616|1.787888|2.918344|0.500000| |17.539613|8.806942|5.941479|4.306574|3.954761|4.550168|6.594938|6.415888|4.937793|3.178203|2.692872|3.652273|3.133497|4.064917|2.515239|2.374174|2.039561|3.402543|2.579846|1.957596|3.187877|3.047456|2.246933|1.663150|1.608358|0.045297|1.697084|1.425120|1.854612|1.239001|1.175092|1.083528|1.049846|1.094598|1.188309|1.689754|3.231504|0.302537|0.500000| |17.591029|8.865082|7.356847|4.794152|3.991333|4.191639|5.558786|4.753373|4.439993|2.797271|2.405218|3.331665|2.889777|3.886045|2.392583|2.209619|1.904215|3.153293|2.447354|1.886685|3.105535|2.953635|2.239286|1.581834|1.519164|0.043040|1.573393|1.353950|1.759836|1.180478|1.123489|1.038829|1.006516|1.046720|1.132534|1.606156|2.797431|0.302104|0.302244|0.500000| |7.095006|8.949505|17.711044|8.943575|5.674588|4.988689|5.633039|4.092471|4.940457|3.071602|2.575340|3.534069|3.107502|4.102676|2.485547|2.303548|1.967017|3.260445|2.504649|1.923205|3.145200|3.025100|2.275618|1.611951|1.514471|0.042572|1.547487|1.354174|1.737227|1.167682|1.122183|1.037125|0.997343|1.028616|1.110381|1.557645|3.113455|0.152041|0.155643|0.228863|0.500000| |4.100231|5.621181|8.902746|17.726335|8.932109|5.655252|4.913571|3.535126|5.707009|3.563176|2.945760|4.000060|3.515654|4.505253|2.723395|2.558690|2.166369|3.598785|2.719260|2.067062|3.343612|3.252199|2.392623|1.739736|1.593432|0.044327|1.608189|1.426643|1.801461|1.210792|1.174922|1.082876|1.031637|1.055300|1.138724|1.579752|3.598322|0.099144|0.099995|0.114230|0.215531|0.500000| |3.546659|4.936186|5.654855|8.899551|17.728360|8.942995|5.619047|4.084107|9.975325|5.868706|4.554921|6.122605|5.605266|6.446475|3.757200|3.627532|2.920513|4.809725|3.508782|2.612315|4.074075|4.182612|2.904059|2.176801|1.938234|0.053209|1.960392|1.705327|2.110996|1.401864|1.362000|1.240756|1.170010|1.194554|1.299978|1.794269|5.358764|0.090363|0.090083|0.090777|0.124304|0.213771|0.500000| |7.014366|6.919031|4.658355|3.957217|4.225909|5.729042|8.844463|17.577919|6.836754|4.348555|3.653470|4.964312|4.297553|5.323177|3.253702|3.120850|2.605363|4.314578|3.209127|2.401502|3.809592|3.781285|2.676744|2.022898|1.960352|0.054925|2.120601|1.697803|2.195170|1.444026|1.358604|1.238615|1.194940|1.251823|1.374880|1.963099|4.153357|0.194234|0.223676|0.139979|0.110183|0.090167|0.097793|0.500000| |6.172395|6.501717|4.531259|3.967650|4.354082|6.039854|8.858977|17.541366|7.438810|4.265834|3.772965|5.644645|5.244186|7.151624|4.138293|3.690106|2.975886|4.733306|3.738980|2.902011|4.560493|4.787316|3.467986|2.292814|2.212538|0.063066|2.361911|1.878624|2.417832|1.571285|1.466961|1.327008|1.278338|1.345520|1.490479|2.140445|3.680571|0.202653|0.159778|0.128831|0.106240|0.090384|0.101488|0.302281|0.500000| |4.772732|5.568181|4.174800|3.948538|4.707747|7.147647|8.814868|17.636287|10.456449|6.305547|5.279594|7.368083|6.601442|7.448075|4.421705|4.331870|3.412026|5.547451|4.038442|2.976242|4.555531|4.789240|3.213764|2.457993|2.342770|0.065062|2.562321|1.979768|2.515895|1.630579|1.531285|1.379662|1.319347|1.381234|1.531796|2.179482|5.186554|0.134815|0.134488|0.104664|0.096109|0.089971|0.112412|0.302620|0.302712|0.500000| |2.394597|2.789842|2.603640|2.847759|3.558689|4.110284|3.463275|3.536320|7.915841|8.680114|17.859008|12.035658|5.897508|5.937205|4.488621|6.152228|5.416462|10.600547|5.277522|3.315576|4.889184|4.757038|2.836352|3.258089|2.859538|0.073266|3.138145|2.438834|2.922035|1.893012|1.836434|1.631535|1.511045|1.541911|1.709082|2.334866|6.315091|0.065192|0.066512|0.059508|0.063149|0.071645|0.104452|0.087823|0.088682|0.119234|0.500000| |2.350288|2.522494|2.331867|2.361396|2.608683|2.887729|2.831739|2.976322|4.237677|2.687609|2.855985|4.890268|3.878620|7.049389|5.989447|4.386553|3.975948|5.673150|6.444799|7.009947|12.663537|12.400592|17.632647|3.792730|3.583869|0.114862|3.283636|2.877342|3.606074|2.245527|2.048775|1.796128|1.710198|1.818945|2.078290|3.000590|2.235209|0.071255|0.060568|0.060011|0.059198|0.060359|0.070962|0.072124|0.093501|0.084802|0.072063|0.500000| |2.787012|3.117763|2.900590|2.985926|3.360049|3.718630|3.549753|3.549662|5.361471|3.188119|3.280527|5.775592|5.061684|10.622704|7.559149|4.903475|3.989191|5.677987|5.848540|5.757284|9.080635|12.576361|17.688376|3.332859|3.003082|0.090348|2.841901|2.466032|3.053129|1.940272|1.810148|1.604795|1.521348|1.595446|1.793395|2.548012|2.593289|0.084088|0.069992|0.070653|0.072128|0.075257|0.090803|0.082929|0.111642|0.099179|0.079691|0.299240|0.500000| |2.220428|2.447398|2.345259|2.454448|2.729488|2.898133|2.719182|2.708624|4.251582|2.695533|2.864574|4.908337|3.894122|7.076192|6.009877|4.400734|3.985539|5.688767|6.440461|7.001063|12.635308|12.395604|17.631485|3.794880|3.315061|0.101701|2.933202|2.750780|3.346912|2.124063|1.992286|1.754485|1.649327|1.720688|1.938864|2.722944|2.240352|0.065699|0.056824|0.057476|0.059549|0.063841|0.076475|0.065615|0.082009|0.076963|0.072253|0.301309|0.299334|0.500000| |1.634910|1.777345|1.697418|1.789090|2.017894|2.159550|2.003785|2.073170|3.387695|2.443142|2.858278|4.585424|2.986339|4.380719|4.151441|4.410491|5.909116|9.372805|12.550327|7.460251|13.950266|6.683690|3.935228|17.649993|8.843684|0.216593|5.479202|7.097213|6.518413|3.803380|3.651760|2.913955|2.541859|2.589626|3.054810|3.988549|2.070222|0.047022|0.043862|0.042253|0.043366|0.047059|0.058160|0.052246|0.059325|0.062381|0.079763|0.105148|0.091516|0.110829|0.500000| |1.658692|1.812561|1.722034|1.821525|2.080431|2.250461|2.071027|2.160497|3.626764|2.725489|3.327358|5.188742|3.168656|4.384125|4.120952|4.944670|7.726529|14.877213|12.643639|5.818773|9.184854|5.891915|3.355296|17.671284|8.819258|0.174631|6.788463|6.961153|6.294313|3.698278|3.614767|2.884713|2.495430|2.521564|2.956936|3.829790|2.300374|0.047289|0.044986|0.042601|0.043742|0.047687|0.060221|0.054647|0.060640|0.066418|0.096969|0.088900|0.081971|0.090567|0.301546|0.500000| |1.671911|1.786787|1.658668|1.711316|1.933429|2.149234|2.049325|2.234296|3.437597|2.628468|3.170199|4.718588|2.911326|3.931937|3.504071|4.153082|5.599652|11.289362|7.743540|4.276851|6.904601|4.813694|2.868407|6.830035|8.773298|0.173267|17.554386|6.733020|7.457099|4.144416|3.712115|2.964858|2.664581|2.813574|3.418365|4.621688|2.265052|0.047975|0.046138|0.042597|0.042243|0.044320|0.054500|0.057613|0.062791|0.069767|0.093949|0.080054|0.072247|0.073991|0.139951|0.202634|0.500000| |1.899020|2.024389|1.847631|1.886690|2.139189|2.432734|2.352655|2.630879|3.906508|2.877752|3.436397|5.433337|3.425190|4.793066|4.413523|5.026230|6.380210|10.637244|9.393293|5.498317|8.533793|6.200476|3.591905|6.718148|8.765588|0.214100|17.561067|5.471285|6.537612|3.586425|3.107483|2.550011|2.367323|2.560874|3.119345|4.484618|2.414156|0.055302|0.052108|0.047898|0.046766|0.048279|0.059402|0.066818|0.075688|0.082745|0.096743|0.102889|0.089182|0.088669|0.139021|0.165121|0.302026|0.500000| |1.634837|1.715432|1.582295|1.607830|1.787508|1.989314|1.943248|2.147321|3.094783|2.297082|2.656269|3.999762|2.605260|3.638218|3.180099|3.477762|4.242638|7.597048|6.414210|4.036603|6.960952|4.577914|2.861136|5.463929|8.809130|0.211184|17.590014|6.934251|9.708876|4.900147|3.931372|3.126149|2.922924|3.266234|4.208772|6.159847|2.003511|0.047502|0.045080|0.041753|0.040595|0.041626|0.049706|0.055813|0.061656|0.065906|0.075973|0.083428|0.071472|0.073355|0.123190|0.139976|0.301156|0.301908|0.500000| |1.409488|1.500078|1.429638|1.484386|1.640404|1.751346|1.663862|1.743379|2.683199|1.965992|2.247513|3.416779|2.264675|3.244193|2.865143|3.029671|3.780355|6.649281|6.479119|4.212532|8.265659|4.398016|2.826729|7.325165|8.820264|0.209711|5.490561|17.451674|12.294321|6.861571|6.539241|4.501187|3.697129|3.751426|4.679145|5.601281|1.725365|0.040572|0.038220|0.036660|0.036972|0.039240|0.046748|0.044934|0.049864|0.052073|0.063913|0.079686|0.068343|0.078748|0.225836|0.181804|0.140482|0.122886|0.139963|0.500000| |1.416262|1.507442|1.428767|1.482245|1.646887|1.773079|1.684509|1.782113|2.749193|2.064294|2.398297|3.558139|2.296327|3.189303|2.794721|3.098776|3.984010|7.580541|6.234392|3.745838|6.727749|4.069691|2.554834|6.828048|8.861463|0.174764|7.015260|17.551700|12.550936|6.971545|6.770045|4.587923|3.725891|3.760720|4.689253|5.558208|1.820562|0.040563|0.038761|0.036670|0.036842|0.039037|0.046902|0.046207|0.050388|0.053931|0.069962|0.071466|0.063318|0.069326|0.168825|0.203048|0.205619|0.141499|0.177203|0.302279|0.500000| |1.413513|1.475005|1.385837|1.411244|1.541961|1.669226|1.628513|1.747843|2.520716|1.830310|2.052531|3.103232|2.105272|3.035945|2.614295|2.686221|3.158194|5.451031|5.185471|3.626355|7.151852|4.008533|2.679071|4.787314|7.311142|0.224668|5.869634|9.326428|25.906596|9.584195|5.966416|4.382472|4.124946|4.914698|7.496660|10.742788|1.620697|0.041145|0.038544|0.036689|0.036002|0.037062|0.043127|0.045535|0.050684|0.051968|0.057735|0.079576|0.065477|0.072222|0.128838|0.116294|0.133802|0.131945|0.186878|0.211251|0.181722|0.500000| |1.218861|1.286471|1.232275|1.275612|1.394787|1.476300|1.410879|1.474951|2.234181|1.667945|1.881043|2.741953|1.825138|2.545848|2.153609|2.302625|2.757874|5.126285|4.222723|2.772036|5.188390|3.149809|2.081563|4.070541|4.640241|0.113617|3.910662|7.353230|9.525846|8.927563|17.750555|8.940380|5.665218|4.972200|5.634387|5.706041|1.505290|0.034834|0.033342|0.031901|0.032117|0.033951|0.039744|0.038634|0.041729|0.043868|0.054434|0.058519|0.052202|0.057866|0.115583|0.116555|0.110243|0.089437|0.108747|0.217448|0.231839|0.149533|0.500000| |1.056782|1.105431|1.064349|1.096514|1.183670|1.241907|1.196269|1.245263|1.847709|1.379663|1.524000|2.182928|1.479595|2.054817|1.689099|1.778574|2.039902|3.771537|3.023359|2.058752|3.846202|2.441195|1.661495|2.677221|2.947264|0.076650|2.678312|3.862609|5.640172|5.632672|8.915616|17.715281|8.928090|5.651303|4.943581|4.927682|1.269749|0.030128|0.028997|0.027864|0.027977|0.029369|0.033629|0.032971|0.035165|0.036656|0.043970|0.046870|0.042410|0.046394|0.076205|0.076069|0.075421|0.064671|0.076700|0.111612|0.113966|0.100372|0.216780|0.500000| |1.001256|1.035584|0.993100|1.013098|1.084308|1.140995|1.113202|1.166888|1.679307|1.245569|1.358401|1.943552|1.335941|1.863513|1.512315|1.568427|1.757088|3.199019|2.595035|1.812085|3.403382|2.188650|1.517814|2.213532|2.504195|0.067720|2.356689|3.086759|4.919467|4.923713|5.638558|8.919642|17.717639|8.901996|5.636121|5.661753|1.153673|0.028666|0.027542|0.026458|0.026230|0.027104|0.030536|0.031120|0.033130|0.034132|0.038864|0.043460|0.038991|0.042106|0.062221|0.061220|0.064721|0.058089|0.069988|0.085857|0.086378|0.093320|0.124345|0.214123|0.500000| |1.070219|1.098731|1.044407|1.056654|1.129618|1.199967|1.182799|1.254998|1.763007|1.297650|1.411838|2.036818|1.408529|1.980069|1.608179|1.651335|1.837294|3.295907|2.739366|1.939864|3.669712|2.346022|1.637710|2.306645|2.734370|0.076319|2.627530|3.273585|5.738367|5.629671|4.966949|5.659729|8.893527|17.685511|8.969260|9.713800|1.196143|0.030865|0.029467|0.028194|0.027570|0.028106|0.031553|0.033520|0.035933|0.036686|0.040088|0.047743|0.041956|0.044910|0.063827|0.062100|0.069771|0.064975|0.081462|0.087388|0.087362|0.115419|0.107807|0.124142|0.214909|0.500000| |1.202381|1.228810|1.155830|1.161606|1.244863|1.338256|1.330318|1.431849|1.970932|1.439385|1.568498|2.289672|1.588176|2.252049|1.839841|1.873833|2.078465|3.668849|3.136526|2.246266|4.267356|2.708997|1.892229|2.606932|3.260383|0.094536|3.219321|3.706697|7.020255|5.826966|4.316020|4.071130|4.846953|7.481573|9.450472|25.963543|1.314601|0.034963|0.033109|0.031491|0.030411|0.030670|0.034518|0.038181|0.041390|0.041957|0.044202|0.056259|0.048199|0.051069|0.070631|0.068228|0.081659|0.079971|0.105368|0.094300|0.094190|0.155930|0.098720|0.092166|0.114464|0.225349|0.500000| |1.319402|1.356130|1.268047|1.277092|1.381167|1.498421|1.484952|1.611373|2.234909|1.637354|1.807775|2.658108|1.820087|2.577357|2.140105|2.206356|2.496284|4.416318|3.799565|2.665002|5.012996|3.153394|2.152046|3.215634|4.316522|0.124053|4.412888|4.887067|10.325567|7.261904|4.821580|4.094801|4.379539|6.011394|9.475652|25.898735|1.479620|0.038403|0.036353|0.034315|0.033145|0.033537|0.038308|0.042724|0.046580|0.047725|0.051121|0.064047|0.054373|0.057353|0.084528|0.083390|0.108303|0.105471|0.155945|0.115401|0.121388|0.231340|0.112802|0.092715|0.100601|0.153015|0.323911|0.500000| |3.569831|4.375603|3.947880|4.170626|5.111609|6.231532|5.544263|5.180928|9.090456|8.896309|5.826729|6.127525|4.709957|4.932720|3.157569|3.401738|2.865562|5.032873|3.292831|2.314492|3.601088|3.511755|2.333323|2.094259|1.948691|0.052498|2.102798|1.713613|2.156403|1.430703|1.378720|1.257273|1.193156|1.226270|1.336908|1.858563|17.561297|0.089820|0.104413|0.086045|0.092281|0.099042|0.132040|0.138527|0.112147|0.163440|0.140572|0.060420|0.069639|0.059384|0.053770|0.059133|0.059869|0.064588|0.053996|0.045529|0.047990|0.043612|0.039904|0.033905|0.031126|0.032507|0.035918|0.040321|0.500000| |2.718615|3.227775|3.061550|3.366449|4.142345|4.619721|3.911340|3.745914|7.593714|9.005007|7.029825|6.449167|4.401956|4.590328|3.112299|3.558986|3.104765|5.696687|3.463807|2.353421|3.643606|3.469642|2.246343|2.229121|2.041945|0.053970|2.205074|1.808655|2.247117|1.494267|1.454570|1.323823|1.245522|1.270050|1.382787|1.900558|17.599093|0.070485|0.077759|0.067680|0.073834|0.084261|0.118404|0.098312|0.087750|0.120043|0.192143|0.057846|0.065420|0.057937|0.056908|0.064506|0.064275|0.066786|0.056011|0.048029|0.051411|0.044903|0.042472|0.035880|0.032465|0.033478|0.036583|0.041228|0.301145|0.500000| 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