Version2.1 2021-01-06T15:12:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C C01894283 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C C01[X(C25H27N5O3)] 174 C1 549 CCCOc1ccc(cc1OCC)[C@@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C CCCOc1ccc(cc1OCC)[C@@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C CCCOc1ccc(cc1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(N)C2(C#N)C#N)C#N)C(C)=O InChIKey=OWDHEPHNHMPUAQ-NFBKMPQASA-N InChI=1S/C25H27N5O3/c1-4-10-33-21-7-6-17(11-22(21)32-5-2)23-20-13-30(16(3)31)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,20,23H,4-5,9-10,13,29H2,1-3H3/t20-,23-/m1/s1 InChI=1/C25H27N5O3/c1-4-10-33-21-7-6-17(11-22(21)32-5-2)23-20-13-30(16(3)31)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,20,23H,4-5,9-10,13,29H2,1-3H3/t20-,23-/m1/s1 CCCOc1ccc(cc1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C C01[X(C25H27N5O3)] 174 C01 549 CCCOc1ccc(cc1OCC)[C@@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C CCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C CCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(N)C2(C#N)C#N)C#N)C(C)=O InChIKey=OWDHEPHNHMPUAQ-NFBKMPQASA-N InChI=1S/C25H27N5O3/c1-4-10-33-21-7-6-17(11-22(21)32-5-2)23-20-13-30(16(3)31)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,20,23H,4-5,9-10,13,29H2,1-3H3/t20-,23-/m1/s1 InChI=1/C25H27N5O3/c1-4-10-33-21-7-6-17(11-22(21)32-5-2)23-20-13-30(16(3)31)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,20,23H,4-5,9-10,13,29H2,1-3H3/t20-,23-/m1/s1 3470.4462102126 -1459.2034441 1-A 14125.1956 118 431 549 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7.0125 7.2386 7.2523 7.2706 7.3312 7.5162 7.6223 8.9567 9.9859 0.0479 0.2053 0.0613 0.3951 1.4066 1.6635 2.9214 7.3411 0.3267 0.7850 0.7918 6.3077 0.6964 1.1812 4.5621 2.9479 4.3790 2.9144 6.1976 1.0641 1.3596 1.9274 1.2575 0.1410 1.9523 0.3882 1.3179 0.2860 0.3848 1.0582 3.4423 2.7317 8.4142 26.8217 145.7011 6.1854 22.9142 2.3636 0.9909 3.3745 26.4117 10.3201 23.6245 1.9959 2.1919 48.6803 182.9815 34.7386 3.8308 7.0024 1.4482 6.4653 12.7319 5.0208 3.7547 5.9065 29.5137 14.2778 2.7011 0.7257 5.3909 0.4300 2.0977 1.9582 12.2826 32.4259 20.0529 0.0356 17.3798 4.5997 26.5792 9.5709 6.4271 0.5586 2.2696 13.4038 3.3673 13.5826 2.5490 11.5663 11.2703 1.8991 19.6016 11.0449 6.2769 48.7384 25.1462 14.5609 6.5525 96.5126 25.1571 8.1339 3.5725 7.6354 66.9440 4.7797 6.3334 16.6621 122.2625 42.7998 26.7642 43.9219 102.2209 8.9953 320.3185 83.8444 90.3556 0.5005 19.7022 0.4338 9.8691 266.4953 5.1730 49.3924 34.6073 28.6754 11.9004 19.2687 11.6212 20.9712 5.0884 4.2202 54.6722 47.4042 46.9484 300.1838 23.6460 3.5387 9.2093 0.8620 2.3418 5.7705 12.7018 5.6175 6.7687 62.5781 15.0761 266.4508 23.5247 165.8256 35.5553 232.9371 25.8591 302.7806 63.6528 4.7085 4.5207 67.5608 20.7951 7.6005 36.3380 59.2835 66.3880 24.9039 4.7100 21.9878 19.1858 31.4974 0.7221 9.9091 49.8883 98.4788 15.1659 34.4947 38.3926 15.7775 9.9522 3.1904 7.6016 10.6399 11.4017 4.5224 112.0609 62.1925 1.1375 1.3805 0.7573 0.9976 2.0942 1.3997 1.6424 2.6531 0.5263 0.4903 0.3094 0.8580 0.0298 0.8042 4.8179 5.7921 2.6048 0.5877 0.6092 0.2824 0.4276 0.2162 1.1560 2.4597 2.6128 0.1818 0.8440 0.1409 1.3165 1.0050 0.8011 5.3273 1.8890 1.6729 1.2224 5.0874 2.5964 2.0873 1.2321 1.5816 2.0629 0.8119 1.5787 1.3091 0.7549 3.2608 0.9609 8.0790 1.5142 2.1692 4.4598 2.3418 4.8642 3.4502 1.4704 2.0341 2.8465 1.1916 4.7269 8.6441 9.5964 1.0244 13.2642 0.1119 2.3841 3.7680 8.6871 0.2800 1.7591 3.5460 8.7067 5.5938 7.3439 3.3740 2.7265 3.4122 2.2980 1.7758 1.7122 3.3506 1.5860 2.7620 8.4481 11.0369 11.4321 2.8262 1.3432 1.7425 15.3007 12.5599 2.8925 8.5939 1.1861 19.4259 2.7047 3.7213 1.1192 1.5867 3.0297 23.4067 10.7792 55.1128 11.0648 0.2988 2.4228 3.8730 2.7517 10.3835 2.5623 23.4883 3.3475 25.4077 1.7242 12.2810 13.7542 13.9927 7.6889 0.8544 11.6814 12.2475 1.7104 2.2047 3.7689 2.2569 3.2972 3.1135 8.3576 18.5363 30.7804 29.9392 15.3236 21.2217 14.3623 0.3148 7.8613 10.1089 7.3114 8.7919 9.1386 132.8169 92.1970 34.9391 313.4298 7.0494 179.3263 76.0169 100.2162 209.4781 42.5299 9.2103 22.4269 140.0836 176.8741 123.0723 83.8538 71.9443 73.0350 43.0829 60.3467 40.7782 114.8735 5.7316 42.1760 64.3438 40.1403 73.8409 66.0466 10.1592 76.1932 50.0081 96.4161 45.8391 105.4168 46.4880 0.7454 0.7406 0.7488 0.5766 0.7454 0.7229 0.7498 0.7477 0.6911 0.6082 0.7375 0.7092 0.7473 0.7057 0.7384 0.6107 0.7478 0.7255 0.7393 0.2965 0.6401 0.6815 0.7486 0.6534 0.6909 0.4066 0.6345 0.4917 0.2636 0.1341 0.7446 0.2622 0.3669 0.2691 0.4449 0.0857 0.2787 0.3517 0.3159 0.5183 0.6259 0.7500 0.7075 0.2945 0.7474 0.7496 0.1953 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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 6 6 6 8 6 6 6 6 6 6 8 6 6 6 1 6 1 6 7 6 6 6 6 6 6 6 7 6 7 7 6 7 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 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 14.00307 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 1.00783
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MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CCCOc1ccc(cc1OCC)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C C01894283 RHF 6-31G(d) (6D,10F) C1 445.211390 |X|Y|Z| 90.334009 58.772730 50.107026
64.314454 16 6 7 15 1
|36.858105| |12.466302|36.858105| |7.538597|12.548492|36.858105| |5.102628|8.068362|13.554914|73.516695| |3.894749|5.235266|8.006023|25.240210|36.858105| |3.603378|4.402660|6.709096|14.042471|13.864009|36.858105| |2.853943|3.334296|4.499096|9.232601|7.914760|13.647686|36.858105| |2.516259|2.966240|3.771678|8.169800|6.788215|7.899040|13.867552|36.858105| |2.615213|3.197173|3.979166|9.413990|7.902612|6.903962|7.988368|13.555698|36.858105| |3.140645|4.076031|5.230558|14.512506|13.491596|7.939164|6.879995|7.862573|13.862510|36.858105| |3.115434|4.133124|4.786803|13.141366|8.166146|5.304696|4.632959|5.173930|7.910021|14.160853|73.516695| |2.562721|3.222386|3.543576|8.515472|5.230456|3.984653|3.796889|4.491354|6.714640|7.988104|24.113898|36.858105| |2.514764|3.142359|3.227800|7.368956|4.084729|3.204612|2.984519|3.331571|4.409174|5.236554|14.379744|12.574190|36.858105| |2.107411|2.402063|2.915908|5.977156|4.403393|5.028916|7.662888|12.523741|7.387481|4.964879|6.791919|3.622901|2.812671|36.858105| |2.080261|2.327190|2.835323|5.601733|4.038027|4.903260|7.645861|9.074736|5.593172|4.217273|5.875126|3.079283|2.476294|17.603634|0.500000| |1.927059|2.176415|2.574819|5.218238|3.665797|4.008071|5.379915|7.316148|5.699580|4.145382|6.040235|3.333434|2.649728|12.330107|0.248010|36.858105| |1.752372|1.950477|2.272230|4.512188|3.076806|3.364324|4.366458|5.470133|4.438786|3.405226|5.131248|2.876724|2.353014|8.996833|0.221231|17.510746|0.500000| |1.978019|2.209118|2.622399|5.182587|3.574616|4.021415|5.196568|5.953814|4.731170|3.796262|5.575583|2.975753|2.437487|7.318000|0.189093|12.424445|0.251284|36.858105| |2.133924|2.417014|2.864653|5.754141|3.935163|4.227072|5.016285|5.614163|4.987168|4.207779|6.252853|3.289558|2.691145|5.624202|0.138856|7.688179|0.159582|13.162220|53.358707| |1.970718|2.241105|2.570819|5.233965|3.456157|3.471384|3.918309|4.583787|4.563266|3.897707|6.175916|3.436823|2.838553|4.653886|0.111151|6.446507|0.142935|7.817997|17.902747|36.858105| |1.881373|2.154890|2.459947|5.106857|3.413124|3.355635|3.876835|4.941736|5.158022|4.096298|6.561080|3.877863|3.100034|5.323888|0.118772|7.691812|0.168709|6.780252|10.641595|12.653680|36.858105| |1.873680|2.141629|2.478399|5.143566|3.534350|3.576947|4.389441|6.058910|5.888464|4.274523|6.562671|3.854955|3.011266|7.611367|0.154940|12.662085|0.252782|7.550183|9.322185|7.649909|14.408940|36.858105| |1.773168|2.026316|2.310189|4.805946|3.244086|3.205050|3.834198|5.258710|5.469137|4.009734|6.404608|3.985169|3.114137|6.535770|0.136409|7.612248|0.193721|4.936833|6.134515|4.925715|7.719071|12.896721|36.858105| |1.784691|2.033167|2.331676|4.823179|3.278917|3.294069|4.016018|5.539728|5.496628|3.995885|6.265123|3.821605|2.995532|7.257386|0.152883|6.637333|0.179533|4.341179|5.202923|3.861240|5.196120|7.675215|14.154542|36.858105| |1.907619|2.162355|2.544739|5.197891|3.646683|3.900127|5.156739|7.290024|5.963251|4.234863|6.222472|3.522741|2.770311|12.066884|0.248776|7.602678|0.204048|4.857950|5.466237|3.705215|4.520434|6.482908|7.586267|12.351584|36.858105| |1.705866|1.890396|2.191200|4.324005|2.921981|3.186708|4.077640|4.984312|4.118290|3.216309|4.895500|2.766614|2.282408|7.670335|0.213820|6.242286|0.204954|4.380313|4.730624|3.204142|3.753435|5.065524|5.665546|7.827514|12.812632|36.858105| |1.574109|1.720748|1.972880|3.821012|2.524960|2.762174|3.429905|3.939699|3.325366|2.713791|4.211095|2.376659|2.010920|5.540409|0.165947|5.017776|0.172404|3.866372|4.183079|2.846163|3.237340|4.140163|4.482379|5.584685|7.271079|16.805664|53.358707| |2.011522|2.288709|2.697845|5.514581|3.844705|4.061134|5.111854|6.595648|5.794312|4.399672|6.498922|3.622017|2.868701|7.554603|0.185979|4.980714|0.131216|3.728363|4.476731|3.038111|3.541053|4.536658|5.246695|7.709728|12.839973|7.999843|7.693846|36.858105| |2.055016|2.333010|2.726490|5.520094|3.742773|3.883701|4.561896|5.338668|5.006436|4.164671|6.336434|3.500570|2.844967|5.401694|0.141483|3.879123|0.102638|3.108597|3.851614|2.631353|2.990290|3.629721|4.124251|5.542676|7.281089|5.690875|6.175107|16.806479|53.358707| |1.659505|1.876595|2.110582|4.314148|2.836931|2.808998|3.274474|4.178393|4.288684|3.389732|5.567162|3.477795|2.843386|4.964302|0.116188|4.530285|0.127846|3.323227|4.093232|3.071001|3.929364|5.073173|7.951199|14.006292|7.793941|6.415319|6.904925|6.817959|7.505082|53.358707| |1.641913|1.869707|2.078507|4.299141|2.791239|2.683037|3.044825|3.891065|4.267720|3.424533|5.846126|3.834114|3.136848|4.387230|0.099508|4.992155|0.133166|3.796337|5.012249|4.285779|6.479561|7.576235|13.242040|7.990983|4.984237|4.167574|4.842067|3.999526|4.608342|9.275466|36.858105| |1.542404|1.748008|1.910236|3.919530|2.480674|2.359272|2.605352|3.200356|3.541044|2.997415|5.303280|3.542088|3.042569|3.480057|0.081976|3.878168|0.105004|3.157754|4.269332|3.689564|5.145305|5.368055|7.394871|5.590719|3.885908|3.401960|4.101426|3.317464|3.976119|7.405217|16.743651|53.358707| |2.358252|2.652856|3.183113|6.209678|4.154047|4.577216|5.051283|4.969539|4.444799|4.102363|6.105124|3.075279|2.580412|4.549142|0.119718|5.260287|0.118424|7.853191|18.992702|7.645659|5.171958|4.679508|3.485145|3.116232|3.350825|2.951416|3.618786|2.912795|3.520611|3.476008|2.962205|3.543666|36.858105| |2.421193|2.666837|3.252012|6.085132|4.055661|4.816935|5.368089|4.788198|4.036141|3.776378|5.551877|2.757873|2.341747|4.420342|0.124506|4.777474|0.111958|7.012394|11.551929|5.321826|4.095481|3.978538|3.106846|2.894809|3.238758|2.926403|3.636665|2.870265|3.501984|3.274013|2.629439|3.159174|15.855436|73.516695| |2.472844|2.797838|3.250879|6.328014|3.969532|4.037588|4.036462|3.978317|3.921356|3.910155|6.186055|3.107189|2.691137|3.526069|0.091678|3.924188|0.091795|5.004873|10.509344|6.546782|4.511410|3.854898|3.032320|2.698181|2.792319|2.459540|3.039798|2.510773|3.108952|3.100447|2.710974|3.338093|12.570538|14.333507|36.858105| |17.536303|8.760076|6.812512|8.313720|3.728891|3.572619|2.849836|2.485510|2.540642|2.999279|5.190991|2.418661|2.347859|2.096060|0.057831|1.938200|0.048952|2.024748|2.991340|2.012135|1.890240|1.870828|1.748495|1.747374|1.873002|1.685597|2.125210|1.947039|2.677011|2.196382|1.614790|2.061668|2.476381|4.570898|2.620912|0.500000| |17.565380|8.799538|5.492574|7.491096|3.303584|3.030123|2.479979|2.238410|2.347130|2.785707|5.045520|2.394185|2.410511|1.904948|0.052045|1.759882|0.044735|1.799697|2.641748|1.819483|1.744454|1.728667|1.647562|1.653748|1.746755|1.570823|1.981510|1.838352|2.560855|2.110935|1.543128|1.989136|2.124328|3.839266|2.247667|0.302033|0.500000| |17.536998|8.761013|6.811958|8.313663|3.732879|3.573662|2.852683|2.488576|2.544966|3.005366|5.203544|2.430412|2.361088|2.097375|0.058105|1.894287|0.048145|1.930848|2.786193|1.878538|1.808268|1.823625|1.737888|1.769786|1.911737|1.720004|2.166617|2.040764|2.867807|2.251167|1.601790|2.043577|2.242554|4.142172|2.296621|0.301471|0.302060|0.500000| |8.821525|17.555314|8.949802|13.151524|4.941768|4.054703|3.155997|2.878864|3.163158|4.048936|7.597586|3.366882|3.363324|2.343643|0.062704|2.105973|0.052688|2.095486|3.084708|2.129190|2.089125|2.092417|2.016756|2.042250|2.156780|1.879439|2.324470|2.321614|3.270466|2.597631|1.873536|2.394238|2.428173|4.303080|2.529732|0.172467|0.211851|0.209955|0.500000| |8.822067|17.553116|8.948397|13.149387|4.931757|4.052440|3.151705|2.873817|3.154619|4.033786|7.558687|3.336034|3.325831|2.341588|0.062357|2.166182|0.053738|2.215979|3.367832|2.328210|2.217400|2.163931|2.033143|2.008129|2.101811|1.834964|2.273728|2.187007|2.996986|2.514875|1.894201|2.423190|2.730701|4.785347|2.980433|0.209912|0.211894|0.172481|0.303583|0.500000| |6.856717|8.837091|17.529832|16.524560|7.096137|6.792867|4.598433|3.744850|3.804555|4.760136|7.521225|3.229803|2.921790|2.929735|0.080020|2.636721|0.064460|2.772517|4.180218|2.699099|2.510103|2.502839|2.281502|2.274937|2.494358|2.171009|2.675796|2.578265|3.481002|2.773263|2.043569|2.550654|3.553317|6.595167|3.668717|0.202955|0.140341|0.168294|0.174188|0.213108|0.500000| |6.855649|8.837330|17.531132|16.529859|7.126288|6.802614|4.611539|3.756071|3.819802|4.785588|7.560646|3.258313|2.947631|2.933747|0.080762|2.529334|0.062654|2.544878|3.668473|2.399490|2.326966|2.393107|2.258262|2.325407|2.588622|2.246437|2.760321|2.809580|3.936711|2.886572|2.017523|2.516745|2.948542|5.469839|2.906488|0.168288|0.140324|0.202894|0.213167|0.174176|0.300897|0.500000| |4.013015|4.685589|7.451578|12.546838|8.945460|17.774670|8.944443|5.655579|4.972884|5.634732|7.594151|3.323792|2.804670|4.127313|0.117224|3.424178|0.082407|3.551887|5.037321|3.049378|2.890279|3.039310|2.740337|2.816237|3.309921|2.833739|3.430747|3.457094|4.595828|3.342088|2.340176|2.840755|4.167061|8.208877|3.751642|0.112961|0.091172|0.112778|0.115697|0.115869|0.227949|0.226554|0.500000| |2.658820|2.986634|3.917082|7.470391|5.661378|8.953113|17.728788|8.938544|5.652184|4.956912|6.531343|3.135008|2.555285|7.127898|0.237580|5.180497|0.122562|5.255032|6.427065|3.613221|3.510715|3.991232|3.483571|3.678843|4.848365|4.148905|4.888284|4.715848|5.743494|4.142539|2.785400|3.266123|4.837720|9.898678|3.751132|0.074748|0.064418|0.074782|0.078148|0.078098|0.114105|0.114248|0.218524|0.500000| |2.331562|2.809463|3.331703|7.625756|5.645204|4.976154|5.676255|8.867180|17.819544|9.034008|12.734894|7.570960|4.735361|6.805672|0.139260|5.765301|0.127098|4.494503|6.383647|4.673205|5.864202|6.876617|7.053834|6.789006|6.315232|4.252216|4.629659|5.838368|6.709397|6.997837|5.444137|5.946551|3.982450|6.291696|3.588424|0.062818|0.059156|0.062927|0.078245|0.078032|0.088486|0.088803|0.107998|0.124170|0.500000| |2.367206|2.912779|3.221413|7.492104|4.734744|3.790849|3.752608|4.584029|6.790224|7.052428|16.523307|17.533213|8.849338|3.814694|0.088293|3.689592|0.087244|3.282471|5.064457|4.079474|4.763082|4.527024|4.585936|4.114262|3.648361|2.860324|3.338346|3.545376|4.497453|4.937550|4.501625|5.622109|3.372055|5.213779|3.425515|0.063208|0.061494|0.062163|0.082319|0.084774|0.084417|0.081978|0.087939|0.086806|0.232877|0.500000| |2.393310|2.946878|3.265060|7.592139|4.804016|3.840728|3.794213|4.614579|6.808292|7.135976|16.538935|17.537766|8.845545|3.816989|0.089485|3.397403|0.082568|2.922813|4.224322|3.202979|3.730149|3.908307|4.303058|4.343186|3.930626|3.024863|3.494923|4.202514|5.608969|5.538525|4.112494|5.117268|2.853932|4.630334|2.791240|0.062532|0.062099|0.064248|0.086499|0.082465|0.082326|0.086384|0.089014|0.087642|0.228323|0.300973|0.500000| |2.655754|3.342275|3.351758|7.566241|4.030570|3.155573|2.884063|3.136452|4.031553|4.898218|12.961078|8.868352|17.582182|2.640809|0.065642|2.436366|0.060682|2.247573|3.322453|2.513824|2.711548|2.689138|2.794931|2.770220|2.623995|2.183134|2.631705|2.798527|3.879713|3.640052|2.775885|3.656340|2.372967|3.905710|2.453723|0.067556|0.071157|0.069699|0.103122|0.096585|0.082097|0.086046|0.077780|0.068996|0.115954|0.173450|0.212245|0.500000| |2.622543|3.296405|3.307940|7.476119|3.992885|3.129709|2.866834|3.127580|4.028801|4.874390|12.968483|8.865752|17.578996|2.640238|0.065175|2.537586|0.062464|2.399474|3.687961|2.876319|3.039162|2.867009|2.867286|2.707282|2.534649|2.118671|2.562722|2.576696|3.448702|3.451525|2.885313|3.825370|2.647366|4.238482|2.852723|0.068468|0.070311|0.067113|0.096356|0.100478|0.084247|0.081760|0.077110|0.068610|0.116530|0.212081|0.173390|0.301089|0.500000| |2.202930|2.668310|2.729626|5.985200|3.381979|2.776329|2.659600|3.000334|3.850258|4.240835|10.256566|8.875962|17.554021|2.632673|0.064417|2.523091|0.063135|2.299870|3.416583|2.700939|3.010418|2.918457|3.099673|2.960768|2.658003|2.216886|2.673713|2.726916|3.669969|3.916879|3.253428|4.429338|2.370956|3.821836|2.458421|0.057565|0.059147|0.057919|0.078834|0.077958|0.069757|0.070394|0.068208|0.064362|0.119236|0.212798|0.212458|0.300242|0.300328|0.500000| |2.063032|2.280963|2.749444|5.310471|3.678341|4.388338|5.868384|6.007876|4.478960|3.707846|5.357134|2.783607|2.302851|7.090239|0.212335|8.776045|0.201079|17.699419|12.597690|5.698142|4.987319|5.559437|4.103640|3.861600|4.600138|4.266325|5.216678|3.695305|4.256970|4.149167|3.224239|3.721680|7.716321|15.045426|4.787931|0.059033|0.051710|0.056356|0.059648|0.062819|0.081797|0.075084|0.110261|0.180408|0.112887|0.082941|0.076213|0.059907|0.063024|0.059866|0.500000| |1.790524|1.972849|2.292500|4.458306|2.972812|3.279920|4.033357|4.489508|3.781112|3.142169|4.793105|2.611184|2.193494|5.533132|0.149061|8.920318|0.237303|17.508909|12.493531|7.062590|6.108605|6.450441|4.475347|3.896355|4.180830|4.039151|5.084872|3.245511|3.737473|4.194629|3.609174|4.168348|6.280254|10.215184|4.403968|0.051031|0.045657|0.048591|0.052139|0.055160|0.067247|0.061936|0.082811|0.115477|0.103122|0.080046|0.071460|0.056283|0.060202|0.058286|0.303118|0.500000| |2.076069|2.385049|2.706397|5.567104|3.592157|3.468015|3.713228|4.229583|4.480918|4.066490|6.670849|3.696904|3.092781|4.001197|0.096508|4.963039|0.112976|5.692446|12.465394|17.647963|9.058563|5.898452|4.269833|3.439955|3.279342|2.813644|3.413350|2.805756|3.380068|3.838314|3.906506|4.738499|7.195245|8.814750|7.689174|0.058937|0.053410|0.054301|0.062664|0.070050|0.079065|0.068796|0.084833|0.093201|0.126644|0.124176|0.092287|0.074974|0.089319|0.081040|0.128291|0.142421|0.500000| |1.798690|2.011187|2.269827|4.511521|2.901295|2.943633|3.287191|3.713334|3.634998|3.186638|5.167298|2.904639|2.482618|3.907975|0.097167|5.380412|0.130744|6.697205|12.337613|17.454753|8.889048|6.079285|4.255136|3.394473|3.243422|2.936113|3.649006|2.678263|3.188464|3.785341|3.876003|4.689121|6.318250|8.408643|5.655356|0.051240|0.046461|0.047734|0.053114|0.058034|0.066393|0.059242|0.073792|0.086955|0.103787|0.093901|0.076035|0.061681|0.070131|0.066572|0.140674|0.197861|0.303630|0.500000| |1.799898|2.063093|2.306527|4.795224|3.112146|2.970058|3.303468|4.100736|4.526931|3.774347|6.396598|3.974779|3.254003|4.271994|0.097884|5.504253|0.131400|4.909211|7.643203|8.656360|17.697457|9.124290|7.034991|4.747490|3.917834|3.303608|3.936904|3.202840|3.766741|5.184050|7.270721|8.396628|4.196222|6.058353|3.959373|0.049983|0.046793|0.047882|0.056019|0.059439|0.064733|0.060350|0.071835|0.083027|0.148336|0.140200|0.105342|0.077637|0.088817|0.090049|0.108120|0.128764|0.218840|0.200583|0.500000| |1.584673|1.790562|1.985648|4.056330|2.616890|2.545916|2.890447|3.607944|3.834454|3.135650|5.329283|3.434024|2.872620|4.107230|0.097382|3.964184|0.111356|3.023910|3.823697|2.956898|3.814134|4.672580|7.309100|9.386758|5.664647|4.907492|5.647132|5.105691|6.015855|26.009715|7.777366|9.067563|2.394564|3.971087|2.178060|0.042777|0.041415|0.043669|0.050716|0.049340|0.053226|0.054983|0.062291|0.074494|0.129433|0.100789|0.111097|0.074382|0.071008|0.082773|0.076378|0.079152|0.076372|0.075204|0.107212|0.500000| |1.686251|1.904332|2.140976|4.358426|2.852849|2.828131|3.264706|4.064602|4.154255|3.364710|5.528157|3.404679|2.810758|4.643831|0.112445|3.987332|0.111428|3.026981|3.748655|2.752976|3.383063|4.226606|5.870641|9.340995|7.306787|6.123973|6.686903|7.914875|9.313880|26.031420|5.119334|5.914363|2.397527|4.074232|2.148746|0.045274|0.043755|0.047012|0.054218|0.051613|0.056872|0.060451|0.068982|0.084452|0.133243|0.095161|0.112938|0.075024|0.069040|0.078484|0.079207|0.077478|0.071179|0.069294|0.090722|0.315383|0.500000| |2.646495|3.091187|3.588784|7.302881|4.560265|4.338410|4.183212|4.230239|4.454472|4.624915|7.452344|3.679366|3.153061|3.583206|0.090655|3.876300|0.089443|4.574356|9.328443|6.437480|4.738747|3.990831|3.189871|2.824580|2.876112|2.471373|3.017252|2.619678|3.259144|3.248473|2.876212|3.547486|8.828155|11.029245|17.567104|0.076891|0.066836|0.067500|0.077821|0.093187|0.110556|0.086964|0.108558|0.103210|0.112953|0.114208|0.088952|0.078578|0.094428|0.078682|0.119252|0.109728|0.233748|0.145260|0.118497|0.063680|0.062604|0.500000| |2.646336|2.937701|3.402898|6.334435|3.835959|3.973653|3.814709|3.571457|3.475010|3.580725|5.702373|2.815404|2.492146|3.144999|0.084068|3.365112|0.080682|4.203288|7.772159|4.805683|3.614880|3.226476|2.633064|2.405158|2.526308|2.256694|2.817402|2.322712|2.919085|2.810953|2.368603|2.943966|9.040464|13.844004|17.650089|0.079691|0.066448|0.067812|0.072305|0.087129|0.110590|0.083961|0.107370|0.100623|0.087175|0.083762|0.070649|0.064257|0.073677|0.062991|0.118118|0.104597|0.148993|0.121094|0.089972|0.054775|0.054764|0.300128|0.500000| |2.201221|2.455806|2.767087|5.347106|3.287054|3.304054|3.356442|3.401504|3.388565|3.327422|5.444947|2.840275|2.510714|3.153646|0.082001|3.628999|0.087190|4.591375|9.276419|6.739727|4.469534|3.676660|2.906175|2.545868|2.574731|2.307230|2.883027|2.297089|2.845189|2.953254|2.664856|3.327785|8.794938|10.980694|17.564170|0.064564|0.056443|0.056933|0.062475|0.072914|0.085028|0.069499|0.085951|0.088069|0.089406|0.088067|0.071258|0.063269|0.074179|0.064890|0.117963|0.119465|0.227258|0.178773|0.112011|0.058279|0.056449|0.300984|0.300258|0.500000|
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