Version2.0 2019-11-24T03:42:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)C1=C([C@H](C(=N1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)F)CCCn4cc[nH+]c4)[O-])C C09160750 RHF 6-31G(d) (6D,7F) CCOC(=O)C1=C([C@H](C(=N1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)F)CCCn4cc[nH+]c4)[O-])C C01[X(C26H27F1N4O5)] 183 C1 594 CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)F)CCCn1cc[nH+]c1 CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)F)CCCn1cc[nH+]c1 CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)C2=C([O-])C(=O)N(CCCn3cc[nH+]c3)[C@H]2c4ccc(F)cc4 InChIKey=FOZNGFIAUXXTQE-KNQAVFIVSA-N InChI=1S/C26H27FN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-6-8-18(27)9-7-17)31(25(34)24(20)33)12-5-11-30-13-10-28-14-30/h6-10,13-14,19,22,33H,4-5,11-12H2,1-3H3/t19-,22+/m1/s1 InChI=1/C26H27FN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-6-8-18(27)9-7-17)31(25(34)24(20)33)12-5-11-30-13-10-28-14-30/h6-10,13-14,19,22,33H,4-5,11-12H2,1-3H3/t19-,22+/m1/s1/f/h33h,28H CCOC(=O)C1=C([C@H](C(=N1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)F)CCCn4cc[nH+]c4)[O-])C C01[X(C26H27F1N4O5)] 183 C01 594 CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)F)CCCn1cc[nH+]c1 CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)[C@@H]1[C@@H](O)[C@H](N([C@H]1c1ccc(cc1)F)CCCN1CNC=C1)O CCOC(=O)C1=C(C)[C@H](C(=N1)C)C(=O)[C@@H]2[C@@H](O)[C@@H](O)N(CCCN3CNC=C3)[C@H]2c4ccc(F)cc4 InChIKey=SMYUBOBFDQCQHX-XLMDAXTESA-N InChI=1S/C26H33FN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-6-8-18(27)9-7-17)31(25(34)24(20)33)12-5-11-30-13-10-28-14-30/h6-10,13,19-20,22,24-25,28,33-34H,4-5,11-12,14H2,1-3H3/t19-,20-,22+,24-,25-/m1/s1 InChI=1/C26H33FN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-6-8-18(27)9-7-17)31(25(34)24(20)33)12-5-11-30-13-10-28-14-30/h6-10,13,19-20,22,24-25,28,33-34H,4-5,11-12,14H2,1-3H3/t19-,20-,22+,24-,25-/m1/s1 3996.3806418800 -1691.8084478 1-A 19757.3132 130 464 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.31142 -20.57315 -20.53200 -20.51372 -20.49758 -20.49216 -15.71549 -15.71134 -15.59405 -15.52150 -11.39958 -11.34884 -11.34774 -11.34329 -11.33669 -11.33013 -11.32579 -11.29349 -11.28932 -11.28562 -11.27471 -11.27060 -11.26072 -11.24898 -11.24508 -11.24492 -11.24282 -11.24058 -11.23990 -11.22669 -11.22502 -11.20741 -11.19928 -11.19761 -11.19395 -11.17788 -1.62871 -1.47006 -1.44212 -1.40020 -1.34543 -1.33215 -1.32552 -1.31000 -1.27356 -1.24633 -1.16955 -1.12980 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1.01098 1.01992 1.02634 1.03611 1.03932 1.04504 1.04904 1.05505 1.05605 1.06287 1.06662 1.07075 1.07721 1.08050 1.08982 1.09651 1.10308 1.10456 1.11055 1.11323 1.11916 1.12008 1.12836 1.13894 1.14420 1.14814 1.14916 1.15354 1.16195 1.17051 1.17238 1.17750 1.18068 1.18329 1.18639 1.19024 1.19357 1.19545 1.19776 1.20636 1.21044 1.21167 1.21608 1.22059 1.23075 1.23264 1.23718 1.24381 1.24513 1.25316 1.26046 1.26169 1.27154 1.27339 1.27652 1.28787 1.29527 1.32088 1.32574 1.33232 1.34088 1.35025 1.35965 1.37938 1.38401 1.38842 1.40091 1.41309 1.41530 1.42436 1.42849 1.43887 1.44411 1.44796 1.45625 1.46362 1.47420 1.48014 1.48842 1.49596 1.50531 1.52018 1.52138 1.53611 1.53799 1.54184 1.54997 1.55590 1.56928 1.57620 1.58193 1.60099 1.60513 1.61424 1.61852 1.62964 1.64195 1.65683 1.66282 1.67323 1.67892 1.68833 1.69019 1.69138 1.69505 1.70334 1.70783 1.71590 1.72460 1.73142 1.73793 1.74437 1.75299 1.75954 1.77558 1.78363 1.78763 1.80033 1.80457 1.81497 1.83781 1.84984 1.86086 1.87295 1.89217 1.90512 1.91645 1.92342 1.94503 1.97360 1.97908 1.98317 2.00699 2.00871 2.01983 2.02880 2.04968 2.05263 2.06598 2.07609 2.08504 2.09615 2.10101 2.10614 2.11485 2.11961 2.12415 2.13334 2.13689 2.14059 2.14499 2.15645 2.16648 2.17474 2.17618 2.18951 2.19316 2.19904 2.20726 2.21730 2.22436 2.22865 2.23447 2.23790 2.24148 2.24706 2.25424 2.25937 2.26945 2.27481 2.28391 2.29054 2.30089 2.30522 2.30952 2.31391 2.32476 2.33053 2.33644 2.34076 2.35072 2.35723 2.36263 2.37446 2.38079 2.38764 2.39117 2.40291 2.41028 2.42236 2.43148 2.43194 2.43362 2.44265 2.45927 2.46628 2.47647 2.48290 2.49302 2.50498 2.50617 2.51449 2.51777 2.52642 2.54489 2.55804 2.55939 2.56518 2.57755 2.58734 2.59168 2.59873 2.60021 2.61750 2.62085 2.63604 2.64188 2.64984 2.65644 2.66386 2.67245 2.67564 2.69388 2.69912 2.70638 2.70925 2.71472 2.72162 2.73663 2.74764 2.75314 2.76717 2.77391 2.78146 2.79567 2.82244 2.84944 2.85670 2.86514 2.87652 2.87928 2.88852 2.89379 2.90972 2.91225 2.92457 2.93016 2.94798 2.95491 2.96683 2.97734 2.98474 2.99255 3.00722 3.01136 3.01802 3.02120 3.04431 3.05261 3.05480 3.07341 3.08017 3.09615 3.10186 3.11616 3.13319 3.13802 3.14133 3.16904 3.17704 3.20905 3.22853 3.24856 3.26565 3.28832 3.31206 3.33698 3.35807 3.37876 3.38133 3.38542 3.39398 3.43506 3.44707 3.45656 3.47023 3.48621 3.51742 3.53712 3.57047 3.64855 3.70621 3.75240 3.77749 3.82604 4.29663 4.40261 4.44177 4.45075 4.50006 4.51191 4.54028 4.54985 4.55664 4.57075 4.58257 4.62816 4.63231 4.64495 4.67631 4.68692 4.72072 4.72904 4.74980 4.77269 4.82371 4.85223 4.86151 4.87437 4.93485 4.95317 4.97099 5.00799 5.02865 5.09362 5.13084 5.16068 5.21504 5.27581 5.52303 5.78925
10.14432
14.8660 -2.1156 -6.2499 16.2645 |XX|YY|ZZ|XY|XZ|YZ| -176.4859 -230.9703 -184.4732 -6.5134 -15.4764 16.7598
|XX|YY|ZZ|XY|XZ|YZ| 20.8239 -33.6604 12.8366 -6.5134 -15.4764 16.7598
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 180.1391 -7.5923 -57.3966 -13.3852 -37.2380 -22.4725 96.7559 -15.2509 -19.5694 25.9576
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298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 6 6 8 6 8 6 6 6 1 6 7 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 9 6 6 6 7 6 6 7 1 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 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
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MUNgauss RevisionA1.9 retrievium 24-Nov-2019 DUDE CCOC(=O)C1=C([C@H](C(=N1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)F)CCCn4cc[nH+]c4)[O-])C C09160750 RHF 6-31G(d) (6D,10F) C1 494.196506 |X|Y|Z| 61.617934 44.145716 118.370556
68.540373 25 6 7 21 4
|36.858105| |12.578748|36.858105| |8.062955|13.424839|73.516695| |5.288168|8.141363|25.672997|36.858105| |4.634266|7.237355|15.330868|15.931923|73.516695| |4.073867|5.207865|14.504337|12.850544|14.272893|36.858105| |3.193395|3.935549|9.392186|7.561815|11.441568|14.277229|36.858105| |2.790245|3.217238|7.433393|5.104264|7.712904|8.371307|12.638376|36.858105| |2.554631|2.913212|6.514164|4.380152|6.876584|6.435452|8.875561|17.543526|0.500000| |3.185448|3.550295|8.580373|5.356769|7.465813|8.799527|8.198265|12.548765|0.249431|36.858105| |4.030018|4.620293|12.505820|7.573252|9.344403|13.406887|8.282555|8.213141|0.177742|15.091735|53.358707| |2.794644|2.945773|6.669159|3.867762|5.669645|5.263639|5.037358|7.167119|0.179287|12.730144|10.657661|36.858105| |2.417669|2.725433|5.990138|3.944453|6.272736|5.515578|7.448127|12.422933|0.245807|7.462260|7.463709|5.911706|36.858105| |2.459326|2.780757|6.042139|3.960726|6.378571|5.248348|6.656002|8.030682|0.164347|6.034429|6.826889|4.878660|15.752415|73.516695| |2.072468|2.283349|4.852553|3.088522|5.033610|4.014929|5.015339|7.464069|0.201856|5.476380|5.630346|5.202225|13.259104|14.596590|36.858105| |1.953371|2.128806|4.479937|2.807878|4.589322|3.577182|4.299085|6.228927|0.201024|4.968818|5.140370|5.101471|7.460236|9.332302|13.703210|36.858105| |1.705232|1.830592|3.758494|2.307437|3.829170|2.804102|3.237053|4.210131|0.127233|3.652048|4.016335|3.909524|5.102585|7.374617|8.213989|12.468699|36.858105| |1.581549|1.681468|3.411883|2.068041|3.447288|2.459991|2.768033|3.467304|0.106095|3.138555|3.542386|3.431425|3.911406|5.859632|5.458243|7.764858|15.711777|73.516695| |1.662556|1.788696|3.648451|2.245143|3.758434|2.696613|3.128002|3.925285|0.111905|3.369782|3.789161|3.498145|5.158070|7.985162|8.210955|8.217533|14.259747|14.967517|53.358707| |1.841423|2.003666|4.141694|2.584579|4.300900|3.170253|3.773427|4.818903|0.128376|3.960985|4.398062|3.925897|7.455040|11.874162|12.563846|7.952102|8.148252|9.672368|17.587975|36.858105| |1.852172|1.992035|4.109814|2.518394|4.151088|3.059055|3.503913|4.394069|0.112890|3.876295|4.347275|3.977220|6.576501|11.601280|8.787836|6.149220|6.428526|8.400003|12.431170|17.537288|0.500000| |1.762855|1.937935|3.940109|2.488075|4.257422|2.956666|3.561504|4.130400|0.109106|3.338876|3.908683|3.150008|5.989280|10.953240|7.381316|5.344759|5.392393|7.315378|10.439074|12.491857|0.250074|36.858105| |1.662992|1.810782|3.623845|2.250612|3.874524|2.594385|3.005407|3.337003|0.086876|2.853233|3.443990|2.731357|4.523676|8.942969|5.036158|3.945812|4.124420|6.000526|7.648794|7.546847|0.205767|13.730944|36.858105| |1.569841|1.714375|3.374994|2.097753|3.683204|2.352282|2.702816|2.864290|0.075178|2.465593|3.060471|2.328497|3.642535|7.221892|3.849449|3.182170|3.280155|4.985676|5.647937|4.994850|0.133851|7.862670|13.726478|36.858105| |1.564480|1.727222|3.385794|2.133407|3.810219|2.374455|2.774438|2.867298|0.076410|2.412176|3.019501|2.233210|3.536659|6.833921|3.685586|3.114112|3.132072|4.802518|5.173602|4.435491|0.111993|6.876005|8.026460|13.861221|36.858105| |1.646538|1.836962|3.638855|2.332934|4.177200|2.641187|3.192537|3.317265|0.090011|2.678167|3.312837|2.437276|4.103329|7.596202|4.336434|3.657737|3.567317|5.370293|5.781462|4.980076|0.116960|7.876140|6.894715|7.916416|13.804815|36.858105| |1.753415|1.954741|3.950945|2.543946|4.453475|2.991526|3.714543|4.107744|0.111980|3.190971|3.808907|2.907002|5.488802|9.659341|6.273254|4.961195|4.728129|6.692056|7.968675|7.471187|0.156375|13.696194|7.998798|6.880029|8.013324|13.774730|36.858105| |1.465502|1.614544|3.115524|1.950434|3.529461|2.118618|2.428458|2.447038|0.065556|2.101294|2.681016|1.947839|2.885938|5.547836|2.946076|2.574921|2.587641|4.084995|4.117223|3.385935|0.087729|4.644155|5.305325|8.157203|14.307674|8.158101|5.307534|97.533100| |1.482431|1.582037|3.169742|1.929003|3.267769|2.248255|2.549425|3.032986|0.086038|2.690791|3.136897|2.799102|3.764380|6.201831|5.099015|5.155795|7.888459|12.171159|17.958871|7.298668|0.178972|6.146610|5.334882|4.149294|3.728688|3.946388|4.919570|6.823582|36.858105| |1.387991|1.488802|2.952531|1.807587|3.110245|2.074682|2.366272|2.724520|0.078664|2.381973|2.832737|2.413512|3.252337|5.383763|4.178359|4.327911|5.917010|10.006641|10.346390|5.323733|0.126265|5.332735|4.677275|4.032672|3.885656|4.209842|4.951399|7.260002|12.371942|36.858105| |1.360536|1.459429|2.889503|1.769442|3.050984|2.026708|2.307502|2.654661|0.079172|2.323877|2.768015|2.359275|3.020562|4.859605|3.837517|4.327396|5.826712|11.158315|8.168504|4.326803|0.102303|4.151833|3.549986|3.169594|3.199004|3.599228|4.176024|6.202146|7.233016|12.360147|36.858105| |1.450492|1.572831|3.130651|1.943870|3.368156|2.244038|2.608755|3.002479|0.092258|2.544530|3.019491|2.520660|3.348368|5.242994|4.252256|4.963740|5.989195|10.743226|7.714388|4.416598|0.100309|4.284177|3.469109|3.123541|3.289773|3.941089|4.689221|6.353259|5.559777|7.483297|12.849896|53.358707| |1.449231|1.586581|3.138399|1.970071|3.469698|2.247493|2.644125|2.930633|0.089239|2.438193|2.946418|2.341894|3.240230|5.182500|3.891883|4.221815|4.550869|7.689073|6.227177|3.999894|0.091290|4.243862|3.464007|3.267333|3.645927|4.581818|5.140130|7.133258|4.440391|5.872088|7.489192|18.719368|36.858105| |1.537426|1.698384|3.371031|2.140488|3.791575|2.448755|2.920217|3.197793|0.100412|2.609480|3.164841|2.454965|3.380669|5.296537|3.924885|4.336753|4.245493|7.111932|5.491111|3.721984|0.085349|3.853300|3.115533|2.939557|3.304228|4.224367|4.765606|6.549137|3.671362|4.339885|5.249969|11.800098|14.231352|36.858105| |1.599299|1.757315|3.524066|2.224981|3.873000|2.591001|3.072129|3.507593|0.115168|2.880810|3.424429|2.759578|3.604210|5.429297|4.318094|5.278383|5.042185|8.707154|5.912800|3.867519|0.088653|3.687757|2.951757|2.691997|2.901824|3.581797|4.246030|5.709814|3.783563|4.215121|5.317769|12.113137|8.768227|13.822413|53.358707| |1.687704|1.861264|3.751760|2.378396|4.127706|2.784884|3.302259|3.768814|0.128750|3.090970|3.676534|2.931223|3.669172|5.439671|4.241712|5.272784|4.643882|8.006677|5.314180|3.605212|0.084068|3.371164|2.722114|2.481212|2.657401|3.242829|3.822340|5.271607|3.333789|3.541535|4.254604|8.404186|6.070818|8.919512|25.961397|0.500000| |1.536600|1.668170|3.347389|2.082385|3.580028|2.433917|2.835939|3.336896|0.107035|2.817952|3.302486|2.803635|3.570587|5.386906|4.551267|5.882340|6.560177|12.215073|7.269918|4.283172|0.097683|3.899875|3.122342|2.778159|2.902683|3.480041|4.218323|5.643990|4.722251|5.340160|7.606359|19.713187|8.713788|8.670734|19.709653|0.259865|36.858105| |1.996041|2.176444|4.587798|2.872799|4.684433|3.656392|4.323810|6.153304|0.229360|5.069876|5.290616|5.195192|5.968660|7.727290|7.855727|15.489093|7.989714|11.833839|7.534169|5.275301|0.123031|4.071153|3.179460|2.687722|2.689633|3.153737|4.028997|5.153603|4.032885|3.622728|3.861872|6.257355|3.971986|4.342441|7.767227|0.174515|5.976058|73.516695| |2.799180|3.473971|7.538104|5.933370|11.022753|7.384916|12.736222|7.239058|0.177232|5.044709|6.880530|3.675694|5.950139|10.188751|4.445614|3.828011|3.011313|4.607944|4.062879|3.571885|0.089954|3.641438|3.077406|2.871198|3.078437|3.650010|4.084936|6.122157|2.488767|2.386554|2.328564|3.640412|2.824619|3.172215|4.337075|0.094022|2.850228|6.752729|36.858105| |17.576568|8.856275|12.925520|4.916778|7.489666|4.001071|3.150788|2.806872|0.070339|3.257359|5.579475|2.898018|2.478748|4.546105|2.117047|1.975917|1.732637|2.847338|2.313710|1.894532|0.053523|1.807378|1.717294|1.614546|1.593619|1.664318|1.776312|3.349415|1.516086|1.408482|1.370283|1.974693|1.443347|1.519157|2.149534|0.046015|1.529951|3.547712|2.731541|0.500000| |17.545583|8.885987|10.228664|4.281835|7.134582|3.374149|2.760894|2.428535|0.062516|2.702235|4.476483|2.410780|2.143095|3.887658|1.863574|1.763829|1.557840|2.583220|2.074699|1.676781|0.046815|1.619511|1.538753|1.465386|1.464447|1.533641|1.617039|3.112639|1.371909|1.292599|1.268424|1.835817|1.352398|1.431916|2.015941|0.043282|1.422336|3.200190|2.499758|0.300373|0.500000| |17.575544|8.855207|12.926161|4.914431|7.488429|3.997273|3.131189|2.801732|0.072317|3.269733|5.631233|2.919710|2.391794|4.241703|2.072044|1.982187|1.726472|2.863758|2.266569|1.826936|0.050928|1.729402|1.620986|1.521587|1.515522|1.602341|1.718000|3.184348|1.482100|1.386166|1.367789|1.986992|1.450080|1.542574|2.204445|0.047742|1.557921|3.644458|2.701848|0.301219|0.300349|0.500000| |8.812175|17.606850|16.533945|7.274367|13.000743|4.768854|3.751206|3.053580|0.078825|3.280999|5.638668|2.737168|2.565371|4.579023|2.180154|2.060733|1.773448|2.913374|2.344851|1.909870|0.052220|1.855036|1.724906|1.641925|1.670149|1.788180|1.894293|3.529500|1.528428|1.451623|1.435082|2.118163|1.577554|1.702539|2.396894|0.052118|1.656879|3.790877|3.419201|0.173042|0.211552|0.211122|0.500000| |8.812465|17.609352|16.535724|7.282596|13.006244|4.775847|3.785184|3.060488|0.076301|3.268952|5.587774|2.719666|2.673223|4.967359|2.232657|2.053866|1.780211|2.896345|2.397043|1.987229|0.055018|1.951868|1.841822|1.759982|1.775951|1.875181|1.973013|3.757266|1.565677|1.477249|1.438010|2.103439|1.568990|1.671410|2.327198|0.049907|1.623579|3.683100|3.479803|0.211179|0.211534|0.173036|0.302683|0.500000| |2.572598|2.694335|5.951881|3.454465|5.181740|4.545494|4.518404|6.336759|0.153495|8.921863|8.339864|17.536528|6.285584|9.555088|5.718440|5.286775|4.218676|6.439204|5.292056|4.475031|0.132397|3.458242|3.024946|2.520814|2.364287|2.545172|3.063787|4.594365|3.079485|2.574275|2.456496|3.497957|2.367486|2.428098|3.670142|0.077738|2.800203|8.746803|3.447649|0.075267|0.062360|0.073350|0.069046|0.070637|0.500000| |3.005818|3.063409|6.898765|3.781846|5.486016|4.835798|4.311022|5.390823|0.137468|8.982656|10.132204|17.610555|4.516661|7.095402|4.023008|3.981622|3.244432|5.235609|4.010478|3.239773|0.092394|2.692938|2.399588|2.083585|1.999431|2.153696|2.505377|3.982162|2.444426|2.134405|2.094308|3.016846|2.072500|2.169007|3.288054|0.071285|2.445910|7.317985|3.234091|0.087355|0.071399|0.089022|0.078411|0.077280|0.300065|0.500000| |2.505355|2.643464|5.819886|3.422065|5.174577|4.519072|4.555493|6.564726|0.189693|8.924500|8.183320|17.560409|5.455553|7.678913|5.330512|5.880824|4.392213|6.987801|5.043101|3.949199|0.107689|3.117814|2.661486|2.270020|2.195058|2.422190|2.910772|4.306950|2.937995|2.542082|2.541754|3.729326|2.498746|2.636607|4.156973|0.091288|3.132709|11.567589|3.478534|0.070952|0.060953|0.073229|0.069803|0.067838|0.302508|0.298412|0.500000| |1.645731|1.770944|3.540413|2.164016|3.685434|2.487694|2.809259|3.151760|0.081424|2.799255|3.377974|2.751691|4.222703|8.404982|4.683254|3.730857|3.985614|5.882259|7.360235|7.027546|0.227921|8.925730|17.708030|8.958513|5.696057|4.962873|5.668978|9.617309|5.290937|4.321779|3.290679|4.252580|3.026115|2.739820|3.623829|0.068930|2.858007|5.358862|2.789247|0.047570|0.042285|0.044613|0.046573|0.049952|0.086504|0.067635|0.073893|0.500000| |1.494230|1.618989|3.154897|1.937451|3.406660|2.138763|2.404079|2.519484|0.066022|2.226988|2.800146|2.123797|3.113660|6.196758|3.238032|2.742234|2.845777|4.429713|4.780040|4.071701|0.114143|5.600917|8.839295|17.740049|8.969350|5.648476|4.957691|16.670427|3.615870|3.505689|2.797422|3.686256|2.807406|2.540098|3.194317|0.060556|2.427150|4.191388|2.530868|0.042840|0.038945|0.040135|0.042992|0.046352|0.063933|0.053504|0.057270|0.214215|0.500000| |1.616973|1.814291|3.563213|2.297320|4.182824|2.559908|3.092402|3.117809|0.086013|2.520105|3.163401|2.273558|3.651164|6.625430|3.771949|3.317271|3.186796|4.921123|4.915826|4.052644|0.096486|5.603025|4.964736|5.653657|8.963167|17.728371|8.849976|16.728622|3.378719|3.707371|3.356284|5.164371|4.664966|4.474199|4.938417|0.091610|3.385859|5.280401|3.665018|0.045045|0.042025|0.043706|0.049531|0.051497|0.064823|0.056274|0.063096|0.107723|0.124718|0.500000| |1.814916|2.037218|4.151821|2.707227|4.736978|3.237697|4.148609|4.671155|0.133265|3.466156|4.085357|3.107035|5.994505|9.589592|7.006070|5.817864|5.145919|7.223782|7.901748|6.943405|0.141647|8.939974|5.678848|4.958620|5.685993|8.955297|17.748097|9.615799|4.624646|4.721673|4.335636|7.233780|5.961114|5.975032|7.249509|0.132931|5.019639|8.547891|4.625414|0.050661|0.046329|0.049703|0.055271|0.056593|0.088835|0.073577|0.088014|0.124557|0.107658|0.213604|0.500000| |1.467945|1.563577|3.119627|1.891850|3.211001|2.186602|2.461322|2.875156|0.079450|2.576310|3.040428|2.661971|3.622023|6.244510|4.651774|4.356393|5.830308|8.966434|12.562727|7.042581|0.191867|6.521666|6.433515|4.820570|4.050351|4.042644|4.865918|7.340543|17.614798|8.920435|5.408879|5.986192|3.805191|3.205433|4.371917|0.080043|3.792617|6.153152|2.412786|0.041926|0.037808|0.040536|0.041751|0.043268|0.082383|0.065174|0.075770|0.189211|0.118209|0.093906|0.119754|0.500000| |1.430274|1.512317|3.020722|1.817585|3.064570|2.107221|2.345827|2.792277|0.079724|2.554562|2.985720|2.731514|3.344137|5.482038|4.401342|4.701188|7.357285|13.342942|12.580299|5.663672|0.149616|4.643406|4.201321|3.405381|3.083927|3.225624|3.875722|5.842103|17.597787|8.823013|6.615511|6.697667|3.848856|3.266620|4.720535|0.086354|4.389465|6.817726|2.257325|0.040663|0.036812|0.039926|0.040607|0.041381|0.083529|0.067004|0.080580|0.120297|0.085358|0.078976|0.104234|0.302878|0.500000| |1.415957|1.530740|3.032314|1.873612|3.251122|2.144809|2.478079|2.805734|0.080305|2.402768|2.877609|2.375310|3.394004|5.713868|4.263880|4.188845|5.208194|8.294074|9.287540|5.501744|0.126919|6.314024|5.473000|4.867029|4.866897|5.394303|6.239483|8.801370|8.814208|17.574206|8.800004|9.720047|6.601483|4.718386|5.820590|0.099229|5.044808|6.227347|2.558455|0.039865|0.036659|0.039072|0.041482|0.042431|0.070060|0.058274|0.068617|0.131120|0.113091|0.128492|0.157149|0.216197|0.173511|0.500000| |1.294271|1.379785|2.713086|1.647224|2.842335|1.865589|2.095627|2.372265|0.067882|2.117376|2.552334|2.157565|2.783669|4.705459|3.428426|3.511343|4.589689|8.130075|7.631052|4.278386|0.107814|4.367363|4.157541|3.742617|3.554392|3.662771|4.047161|6.882624|8.955929|17.526348|9.011312|7.657635|4.733370|3.616695|4.743069|0.083202|4.254372|5.385957|2.114533|0.036536|0.033635|0.035876|0.037371|0.038116|0.063963|0.053773|0.062699|0.110284|0.093995|0.090968|0.105517|0.220562|0.216325|0.304320|0.500000| |1.271312|1.361145|2.670222|1.629734|2.831191|1.840076|2.076765|2.334856|0.069246|2.064108|2.497689|2.083920|2.609632|4.273361|3.179358|3.495709|4.380175|8.384423|6.161479|3.536010|0.086053|3.531733|3.145928|2.922993|2.994458|3.307630|3.633141|5.984581|5.443162|8.825697|17.608748|12.616604|6.931911|4.837921|6.317025|0.104749|6.007609|5.723532|2.119061|0.035497|0.033095|0.035466|0.037307|0.037344|0.059895|0.052062|0.061912|0.081190|0.072960|0.087769|0.103423|0.124437|0.143143|0.202252|0.231466|0.500000| |1.354622|1.443163|2.861746|1.738098|2.973317|1.995498|2.244223|2.614949|0.078478|2.337315|2.769108|2.428113|2.931031|4.667313|3.739993|4.409532|6.269054|13.943516|7.982284|4.102890|0.099585|3.705305|3.200453|2.819668|2.790063|3.089540|3.604554|5.457123|6.909989|8.745869|17.692420|12.529640|5.654891|4.485588|6.718887|0.114424|7.346931|7.132347|2.218704|0.037932|0.035038|0.038026|0.039391|0.039289|0.070259|0.060028|0.073709|0.084879|0.070169|0.080150|0.104747|0.140870|0.203019|0.173776|0.201702|0.301728|0.500000| |1.381797|1.510376|2.963925|1.854150|3.287011|2.088152|2.435716|2.647189|0.078606|2.228028|2.725289|2.137256|2.960302|4.884095|3.469377|3.592957|3.907921|6.585537|5.649796|3.721105|0.086750|4.171956|3.554130|3.486877|3.991922|4.932277|5.096749|7.950314|4.260116|5.916837|6.766308|12.064692|17.850996|8.705268|8.041631|0.126906|5.963033|5.913614|2.630281|0.038315|0.035973|0.038221|0.041648|0.041770|0.060495|0.052994|0.062432|0.085348|0.083474|0.141718|0.151718|0.105448|0.101584|0.200425|0.139081|0.192563|0.138828|0.500000| |1.552249|1.728287|3.407631|2.181033|3.924583|2.458817|2.938837|3.094125|0.096354|2.519176|3.113695|2.324305|3.191831|5.086548|3.520156|3.744635|3.534653|5.888354|4.644957|3.298352|0.077138|3.500443|2.893858|2.801577|3.222011|4.138555|4.420804|6.545002|3.115993|3.585519|4.098806|7.979708|8.679915|17.852312|12.066202|0.206579|5.941927|6.765889|3.306858|0.042368|0.040290|0.043129|0.048464|0.047398|0.063296|0.057543|0.068522|0.070559|0.067712|0.128483|0.152288|0.077918|0.077577|0.109683|0.085761|0.108454|0.099707|0.193321|0.500000| |1.549385|1.667673|3.358807|2.066583|3.509178|2.428930|2.780819|3.348984|0.108170|2.914718|3.376495|2.997752|3.533281|5.271602|4.557251|6.359820|7.481544|16.263469|7.358070|4.199617|0.098208|3.610677|2.936310|2.574380|2.621783|3.054452|3.703959|5.117079|4.700115|4.891875|6.682832|12.198853|5.911981|5.902416|12.234364|0.214072|17.825402|12.087002|2.705109|0.042943|0.039736|0.043911|0.045892|0.044798|0.083080|0.072551|0.095485|0.076592|0.063233|0.081448|0.118863|0.103684|0.128436|0.122182|0.111120|0.146360|0.210246|0.126326|0.126239|0.500000| |2.993149|3.856150|8.101352|6.644012|14.380833|6.860311|8.890163|5.395673|0.135376|4.281969|6.247668|3.216997|4.539455|8.113358|3.563789|3.153985|2.573457|4.023024|3.481599|2.993531|0.077057|3.082744|2.704195|2.584671|2.776818|3.199824|3.422782|5.686689|2.188412|2.115824|2.070435|3.198146|2.492628|2.783457|3.769029|0.081612|2.484559|5.625248|17.678722|0.079825|0.074808|0.078973|0.107385|0.109546|0.083649|0.081339|0.084170|0.068826|0.064493|0.090806|0.104370|0.059374|0.055671|0.062829|0.052814|0.053032|0.054942|0.065325|0.081682|0.065739|0.500000| |2.568434|3.110668|6.587789|4.867301|8.949827|5.884439|8.990455|6.505427|0.154618|4.572254|6.023347|3.477337|6.469141|12.193651|4.768488|3.879271|3.118583|4.697035|4.363873|3.983998|0.099829|4.281206|3.605275|3.382274|3.667344|4.400686|4.902284|7.152371|2.673969|2.559870|2.438680|3.778141|2.959835|3.241495|4.311022|0.090595|2.879093|6.508203|17.546431|0.070927|0.064307|0.068265|0.083545|0.088549|0.094266|0.084475|0.090863|0.088813|0.081487|0.120694|0.149514|0.073003|0.066278|0.077554|0.062833|0.061520|0.063750|0.077747|0.093181|0.075081|0.299911|0.500000| |2.515750|3.048441|6.440041|4.781725|8.891005|5.800378|8.940968|6.600155|0.186648|4.557884|5.969254|3.475316|5.446992|8.696363|4.449135|4.032209|3.148982|4.852538|4.167054|3.544053|0.086921|3.608713|2.987678|2.797001|3.057277|3.740516|4.212286|6.089621|2.552091|2.496986|2.490850|4.008309|3.163152|3.698849|5.054890|0.111860|3.191283|7.344272|17.499246|0.067644|0.063108|0.068584|0.085321|0.083541|0.089851|0.084608|0.095097|0.074503|0.068058|0.107208|0.139921|0.067600|0.064228|0.074490|0.060988|0.062975|0.065613|0.080431|0.109485|0.082803|0.300346|0.301791|0.500000|
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