Version2.0 2020-07-19T23:10:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C39758128 RHF 6-31G(d) (6D,7F) C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C01[X(C25H27Cl1N6O3S1)] 183 C1 602 C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C[C@H](NC(=O)c1ccc(Cl)cc1)c2nnc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2CC=C InChIKey=VEZQRIKSURVUDH-JKSUJKDBSA-N InChI=1S/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1 InChI=1/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1/f/h27-29H C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C01[X(C25H27Cl1N6O3S1)] 183 C01 602 C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C=CCN1[C]([N][N][C]1[C@@H](NC(=O)[C]1[CH][CH][C]([CH][CH]1)Cl)C)S[C@@H](C(=O)N[C]1[CH][CH][C]([CH][CH]1)NC(=O)C)C C[C@H](NC(=O)[C]1[CH][CH][C](Cl)[CH][CH]1)[C]2[N][N][C](S[C@H](C)C(=O)N[C]3[CH][CH][C]([CH][CH]3)NC(C)=O)N2CC=C InChIKey=VEZQRIKSURVUDH-JKSUJKDBSA-N InChI=1S/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1 InChI=1/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1/f/h27-29H 3756.4142079820 -2370.7295003 1-A 42831.2394 138 464 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83209 -91.97421 -20.54290 -20.53434 -20.52889 -15.64752 -15.61606 -15.60637 -15.59064 -15.58442 -15.58284 -11.36976 -11.36037 -11.35790 -11.33779 -11.31417 -11.31359 -11.30628 -11.29705 -11.29008 -11.28549 -11.28532 -11.26128 -11.25635 -11.25581 -11.25535 -11.25385 -11.25262 -11.24663 -11.24529 -11.24335 -11.24019 -11.23253 -11.22947 -11.22945 -11.22716 -10.56553 -8.98411 -8.03493 -8.03157 -8.03156 -6.66700 -6.66543 -6.66342 -1.42633 -1.41315 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.09596 0.12403 0.12680 0.13657 0.15278 0.16259 0.17290 0.19294 0.19450 0.20109 0.20871 0.21160 0.22355 0.22474 0.23758 0.24018 0.24564 0.25462 0.25762 0.26617 0.27332 0.27634 0.28139 0.28428 0.29267 0.29573 0.29829 0.30199 0.30456 0.31888 0.32184 0.32320 0.32637 0.32929 0.33374 0.33708 0.34177 0.34553 0.34827 0.35759 0.35969 0.37158 0.37924 0.38178 0.38909 0.39434 0.39817 0.39914 0.40984 0.41387 0.41768 0.43379 0.44692 0.44954 0.46024 0.46315 0.47230 0.47525 0.48090 0.48993 0.49490 0.51018 0.51460 0.52191 0.52397 0.52936 0.54309 0.55023 0.55384 0.57368 0.58138 0.59768 0.59844 0.60456 0.61354 0.61672 0.62745 0.63251 0.64091 0.65768 0.67602 0.68189 0.69354 0.70792 0.71422 0.71675 0.72079 0.72378 0.72823 0.72913 0.73507 0.74015 0.74294 0.74813 0.75043 0.75259 0.76427 0.77639 0.78325 0.78631 0.79442 0.79886 0.80101 0.80165 0.80538 0.80862 0.81109 0.81261 0.81353 0.81596 0.81956 0.82020 0.82132 0.82546 0.82893 0.83222 0.83861 0.84872 0.85591 0.85655 0.85953 0.87345 0.88061 0.88342 0.88789 0.89611 0.90920 0.91137 0.92019 0.92677 0.93592 0.93806 0.94506 0.94733 0.94985 0.96575 0.96970 0.97748 0.98173 0.98532 0.99509 1.00045 1.00382 1.00976 1.01509 1.02147 1.02973 1.03425 1.04106 1.05043 1.06252 1.06474 1.07105 1.07779 1.08279 1.09135 1.09599 1.09775 1.09863 1.10433 1.10592 1.10700 1.11304 1.11595 1.11689 1.12530 1.12979 1.13269 1.13388 1.13587 1.13996 1.14025 1.14368 1.14697 1.14944 1.15204 1.16248 1.16871 1.17462 1.17876 1.17953 1.18708 1.18827 1.19148 1.19431 1.19854 1.20018 1.20497 1.21095 1.21308 1.21442 1.22162 1.23189 1.23356 1.23565 1.24173 1.25155 1.25538 1.26441 1.26996 1.27125 1.27993 1.28197 1.29825 1.30242 1.31101 1.32283 1.33223 1.33517 1.33777 1.34678 1.35439 1.35637 1.36518 1.37499 1.39109 1.39431 1.40045 1.40926 1.41431 1.41618 1.42930 1.43819 1.45507 1.46828 1.47804 1.48726 1.49520 1.49591 1.51941 1.52458 1.53385 1.53854 1.55048 1.56420 1.57652 1.58524 1.59415 1.60625 1.61648 1.62238 1.63096 1.63489 1.64193 1.65054 1.66370 1.66919 1.67835 1.68226 1.69352 1.70157 1.70399 1.71597 1.72141 1.73010 1.73832 1.74394 1.75156 1.75254 1.75652 1.77231 1.77443 1.77960 1.79117 1.79819 1.80484 1.81011 1.82151 1.82464 1.83168 1.83526 1.87689 1.88183 1.90186 1.91182 1.92105 1.94354 1.96271 1.98994 2.00788 2.01868 2.03138 2.04825 2.05518 2.06535 2.07142 2.07540 2.07904 2.08181 2.09435 2.09707 2.10768 2.11519 2.11931 2.12023 2.12587 2.13346 2.13848 2.15510 2.15927 2.16031 2.17041 2.17839 2.19429 2.19836 2.20509 2.20878 2.22507 2.22749 2.23226 2.24258 2.24896 2.25857 2.26352 2.27471 2.28643 2.30265 2.30646 2.30844 2.31305 2.33254 2.33560 2.33681 2.37468 2.38527 2.39033 2.39304 2.39594 2.40353 2.41346 2.41916 2.43713 2.44256 2.44617 2.45234 2.45290 2.45979 2.47091 2.48142 2.48567 2.48769 2.49611 2.50178 2.52339 2.53067 2.54403 2.56499 2.57797 2.58473 2.59621 2.60354 2.61584 2.62385 2.63039 2.63924 2.64348 2.64644 2.65437 2.66308 2.66608 2.66858 2.67297 2.68866 2.69003 2.70194 2.71910 2.72661 2.72866 2.74487 2.75159 2.76408 2.77379 2.78270 2.78357 2.79563 2.80601 2.82765 2.83002 2.85997 2.87225 2.87909 2.88614 2.92708 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0.14684 0.02571 0.02311 5.69 9.81 15.08 28.29 32.49 38.42 40.00 42.80 51.14 58.81 66.25 84.51 103.06 116.27 123.49 133.20 139.25 152.39 190.94 207.45 226.00 231.78 269.37 286.97 294.23 331.51 356.36 373.68 378.73 389.07 414.15 433.48 455.20 465.14 473.05 498.59 526.93 568.77 597.20 605.40 614.30 620.92 641.14 658.74 661.24 715.18 733.12 752.35 773.27 785.92 806.06 814.46 827.74 834.69 845.98 910.26 954.03 958.12 982.52 996.55 1017.67 1075.42 1102.91 1106.15 1116.65 1138.50 1140.58 1167.58 1182.54 1213.94 1229.38 1240.14 1286.56 1320.08 1339.17 1362.31 1385.64 1405.19 1407.34 1416.63 1445.77 1457.79 1489.90 1509.68 1512.93 1571.45 1577.87 1584.62 1589.85 1590.46 1601.14 1608.00 1610.96 1622.64 1640.93 1676.28 1677.54 1707.41 1716.88 1725.07 1735.02 1736.31 1743.65 1763.39 1776.04 1810.64 1841.28 1849.46 1857.81 1860.73 1883.47 1898.46 1915.66 1949.62 1958.75 1973.79 2036.00 2041.58 2061.72 2070.05 2088.78 2104.54 2114.21 2167.75 2172.83 2181.18 2206.89 2232.72 2235.44 2242.22 2242.80 2259.52 2281.46 2304.15 2322.82 2344.95 2348.09 2355.95 2359.69 2365.06 2374.13 2401.24 2423.14 2434.87 2450.46 2473.39 2523.92 2539.97 2550.26 2597.52 2598.87 2629.57 2703.35 2768.15 2816.22 2847.97 4625.86 4626.42 4627.04 4695.26 4711.78 4714.30 4733.30 4742.02 4768.18 4768.82 4770.24 4789.59 4796.89 4802.67 4805.82 4826.34 4834.58 4864.27 4891.09 4900.96 4918.98 4919.31 4973.56 4991.79 5577.18 5588.06 5604.63 0.535143 0.569480 0.570424 0.457129 -2370.194358 -2370.160020 -2370.159076 -2370.272371 3.799933D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C39758128 RHF 6-31G(d) (6D,10F) C1 526.155388 |X|Y|Z| 189.412205 74.408992 37.650361 80.959442 24 6 7 16 18 5 1 |36.858105| |12.412761|36.858105| |8.864207|17.629624|0.500000| |7.588937|12.648295|0.248786|36.858105| |5.688985|7.728220|0.162681|14.884165|53.358707| |4.333798|5.288801|0.125200|8.894526|18.983333|53.358707| |4.375930|5.276051|0.132758|8.896525|12.163404|20.223328|36.858105| |5.764304|7.468997|0.192081|13.960547|11.938138|11.900634|13.979647|53.358707| |5.144240|6.049610|0.183433|7.485006|7.225418|7.220224|7.511319|17.744596|36.858105| |4.123379|5.117733|0.170465|5.745840|6.003285|5.955028|5.642737|10.507548|12.655209|36.858105| |3.902349|4.693780|0.167407|4.629072|4.954789|4.718350|4.131018|7.312596|7.645071|14.457284|36.858105| |3.238001|3.630187|0.096957|4.952960|6.720548|9.494765|10.817788|9.459256|5.925201|4.916420|3.672717|388.023441| |2.753478|3.029287|0.078820|3.978609|6.039380|8.844491|6.965590|6.390061|3.890834|3.426999|2.770900|73.892333|36.858105| |2.823386|3.190111|0.082026|4.257525|6.878801|10.651872|7.185824|6.477037|3.768733|3.395244|2.762248|57.045134|17.659444|0.500000| |2.710398|2.842815|0.072669|3.618459|5.519598|7.513325|5.554126|5.565324|3.434268|2.929041|2.442141|48.392856|12.452977|0.245909|36.858105| |2.289095|2.498907|0.066709|3.106363|4.546102|5.963277|4.729025|4.914004|3.238408|3.015444|2.502239|50.352571|12.489951|0.243899|7.601312|36.858105| |2.165599|2.323979|0.062807|2.823053|3.992615|5.018346|4.134478|4.531807|3.137898|2.926323|2.451276|45.404206|8.030869|0.163225|6.269709|15.892252|73.516695| |2.087806|2.299368|0.061461|2.803242|4.178983|5.307800|3.951503|4.247617|2.789982|2.683509|2.277201|36.046509|7.876210|0.211234|5.619693|14.069077|14.937110|53.358707| |1.814578|1.981418|0.053547|2.340349|3.426375|4.136701|3.087054|3.497130|2.370404|2.331218|2.027709|27.072377|5.016681|0.135432|4.091154|7.629759|11.543114|18.337090|36.858105| |1.695215|1.856509|0.050125|2.160797|3.192674|3.757641|2.721354|3.143367|2.120665|2.109019|1.863792|22.333565|3.995010|0.114920|3.396072|5.158187|7.886088|10.839423|13.715310|36.858105| |1.513653|1.644460|0.044696|1.876762|2.735545|3.136828|2.287672|2.714619|1.864997|1.871224|1.681130|18.521285|3.131867|0.088574|2.768141|3.895919|6.399772|7.063998|7.917625|13.817278|36.858105| |1.438026|1.549257|0.042362|1.755909|2.520556|2.874036|2.137464|2.565855|1.794846|1.803128|1.627955|17.636237|2.891347|0.079128|2.592605|3.658414|6.394699|6.152671|6.798425|7.910570|13.703900|36.858105| |1.509113|1.620117|0.044380|1.849001|2.632061|3.035256|2.303109|2.749086|1.939712|1.937088|1.734441|19.728752|3.220467|0.085077|2.868383|4.302691|7.959457|6.947575|7.904251|6.904070|7.978870|13.718736|36.858105| |1.690083|1.823113|0.049718|2.120677|3.034304|3.590731|2.750852|3.200555|2.234672|2.206693|1.938727|24.591324|4.192240|0.107759|3.592069|6.255739|11.624355|10.470603|13.728366|7.979046|6.905538|7.899752|13.740198|36.858105| |1.301744|1.395021|0.038269|1.558823|2.224459|2.491622|1.848944|2.258543|1.593076|1.608271|1.471636|14.940579|2.381792|0.065466|2.181355|2.882181|5.099816|4.613454|4.524953|5.191434|7.966038|13.514055|7.702738|5.108735|53.358707| |1.222051|1.300668|0.035816|1.441903|2.038398|2.265308|1.695063|2.094021|1.494418|1.509788|1.391519|13.709499|2.136102|0.058027|1.982431|2.554433|4.642994|3.916273|3.653575|3.887731|5.143655|7.606069|6.241694|4.295838|19.009703|36.858105| |1.233074|1.307276|0.036075|1.449903|2.036219|2.267714|1.715008|2.122829|1.527446|1.539846|1.417968|14.063298|2.167157|0.057979|2.017821|2.616190|4.887243|3.906045|3.601757|3.602309|4.438734|6.503700|6.552046|4.483619|11.445914|15.916933|73.516695| |1.121553|1.190388|0.032806|1.306733|1.845484|2.026002|1.506586|1.880036|1.343429|1.360545|1.265836|11.949161|1.842681|0.050514|1.728038|2.139409|3.852325|3.243419|2.894959|3.135284|4.000873|5.028085|4.197259|3.223522|10.744960|12.569310|14.248603|36.858105| |7.711630|13.163166|0.258210|8.004975|9.475719|6.380204|4.281871|7.084071|4.279221|3.975140|3.775079|21.938661|2.740705|0.082311|2.577320|2.296794|3.755720|2.958419|1.891649|1.806933|1.606627|1.500090|1.547907|1.725807|1.848066|1.261297|2.237137|1.161765|53.358707| |5.946505|7.802621|0.204640|5.244174|6.378109|4.824010|3.338725|5.385750|3.545918|3.475514|3.508489|18.324175|2.311995|0.068744|2.181884|1.996645|3.302557|2.600230|1.694705|1.633426|1.471338|1.379723|1.416350|1.560126|1.715880|1.176648|2.084643|1.091285|19.233989|36.858105| |5.809245|6.902485|0.210816|4.584563|5.331150|4.237851|3.057168|5.035916|3.535711|3.532579|3.755128|17.295108|2.143663|0.062651|2.026725|1.876120|3.145668|2.428689|1.595918|1.531667|1.389454|1.314093|1.354246|1.485780|1.640918|1.132026|2.013054|1.051398|11.591128|15.809425|73.516695| |4.206195|5.027620|0.131364|4.011755|5.343639|4.216859|2.842602|4.318710|2.837359|2.822772|2.833445|16.110865|2.108859|0.063351|1.998812|1.846427|3.039735|2.449699|1.612942|1.578121|1.429454|1.332740|1.353759|1.478818|1.666646|1.140505|2.008770|1.064228|10.689048|12.683533|14.336118|36.858105| |3.526882|3.895231|0.105566|3.168511|4.184419|3.451470|2.373299|3.578779|2.432682|2.437607|2.501911|13.919225|1.830460|0.054332|1.751494|1.628709|2.708612|2.165955|1.444200|1.417881|1.297826|1.216993|1.233686|1.336089|1.533818|1.055275|1.859283|0.990348|7.115821|7.706343|12.076127|13.709492|36.858105| |2.851563|3.099436|0.083710|2.664420|3.617681|3.069731|2.097866|3.081983|2.096350|2.108295|2.149258|12.560085|1.683735|0.050089|1.616704|1.514303|2.516778|2.035243|1.368838|1.356714|1.249261|1.168922|1.176794|1.265880|1.480940|1.018711|1.788156|0.961016|5.390342|5.068061|8.107322|7.907094|13.784186|36.858105| |2.657613|2.940449|0.078209|2.632985|3.691760|3.157629|2.119720|3.046224|2.037432|2.048556|2.052056|12.705837|1.733755|0.052141|1.659955|1.560514|2.572746|2.119497|1.426107|1.425701|1.310724|1.217293|1.217711|1.308834|1.541368|1.055099|1.843560|0.996317|5.134706|4.465174|6.817141|6.887824|7.988831|13.764807|36.858105| |2.902431|3.331996|0.086825|3.049419|4.400222|3.701730|2.428134|3.455009|2.252396|2.257112|2.219230|14.279801|1.961385|0.059854|1.862435|1.746567|2.847718|2.380787|1.586752|1.588251|1.446369|1.332697|1.332043|1.441103|1.676008|1.140024|1.988321|1.071527|6.059707|5.000678|7.125869|7.905450|6.872338|7.905638|13.782537|36.858105| |3.627607|4.390325|0.112023|3.881249|5.552585|4.431127|2.884799|4.201464|2.685541|2.674575|2.613032|16.367324|2.202950|0.067442|2.076140|1.927283|3.132579|2.594986|1.705795|1.686945|1.521604|1.403923|1.415020|1.545917|1.752212|1.190986|2.085902|1.111743|8.918342|7.482451|9.404140|13.712027|7.949674|6.869068|7.985216|13.760706|36.858105| |2.148084|2.323836|0.062260|2.143976|3.026504|2.675590|1.806657|2.552169|1.725160|1.738197|1.740061|11.113788|1.539089|0.046101|1.481890|1.405632|2.325583|1.926244|1.312051|1.323880|1.228978|1.141873|1.134384|1.208211|1.457171|0.999246|1.739959|0.950237|3.835852|3.171054|5.073541|4.226700|4.777451|7.042918|10.939998|7.048564|4.776462|448.794386| |17.549493|8.734528|0.210500|6.862237|6.906740|5.714558|4.514174|8.327181|5.953943|4.434171|4.152583|24.498237|2.834175|0.078744|2.808865|2.360753|4.028949|2.881481|1.838968|1.699081|1.518441|1.453702|1.538838|1.729111|1.788647|1.238580|2.233937|1.133090|7.598139|4.572650|8.284461|3.429748|2.969469|2.467404|2.314949|2.505095|3.037822|15.388516|0.500000| |17.605860|8.856443|0.215011|5.538619|6.059888|4.794054|3.542318|6.086067|4.253306|3.654690|3.650670|19.622672|2.386466|0.067954|2.348940|2.032398|3.441735|2.552448|1.653228|1.556532|1.402740|1.336377|1.396358|1.548858|1.658484|1.148136|2.057874|1.059434|9.529182|6.388706|12.251280|4.438983|3.874854|3.058582|2.759680|2.930595|3.628756|17.790982|0.300977|0.500000| |17.573277|8.811964|0.173721|6.901967|8.080218|6.093846|4.280673|7.062036|4.374774|3.523132|3.269952|22.523697|2.802974|0.080337|2.836289|2.303485|3.845096|2.867899|1.824221|1.709367|1.522392|1.440564|1.507679|1.689853|1.773552|1.220521|2.184919|1.120825|9.507941|5.301495|8.624479|4.063648|3.409547|2.819344|2.672089|2.941036|3.634934|17.449244|0.301100|0.299719|0.500000| |6.210673|6.618180|0.207289|6.919230|6.572148|6.144646|5.741658|12.496180|17.633140|8.896033|7.261382|32.688115|3.303189|0.089269|3.056681|2.787622|4.841376|3.316737|2.103618|1.903258|1.692249|1.633720|1.755889|1.996908|1.992716|1.381019|2.508993|1.250388|6.037716|3.738995|6.852125|2.916001|2.528177|2.152228|2.057885|2.245306|2.682763|13.924271|0.220553|0.142273|0.137668|0.500000| |4.260676|4.633723|0.134331|5.707096|6.170621|6.658083|7.122564|12.598211|17.601759|8.893701|6.019309|49.076206|4.199903|0.107547|3.726898|3.533895|6.276938|4.007238|2.494700|2.189503|1.924348|1.871188|2.052256|2.386225|2.250344|1.557047|2.851412|1.390690|4.773049|2.970570|5.258366|2.459526|2.145374|1.880408|1.838288|2.020037|2.359285|12.696469|0.139075|0.099939|0.105663|0.304395|0.500000| |3.519950|4.375717|0.137697|5.174898|5.840552|6.116149|5.804605|9.339332|8.658646|17.681504|9.152973|38.577529|3.739587|0.103624|3.056906|3.355394|5.736967|4.087465|2.598450|2.337922|2.059140|1.977749|2.129367|2.444657|2.381970|1.633134|2.957265|1.462557|4.932919|3.175899|5.596245|2.672584|2.305475|2.026485|1.999829|2.221737|2.603727|13.747001|0.102384|0.087123|0.086758|0.171897|0.204889|0.500000| |4.274479|4.870224|0.179191|4.446948|4.705974|4.367464|3.741606|6.710900|6.930966|9.077497|17.692343|23.356933|2.537664|0.070037|2.300988|2.280600|3.989424|2.824600|1.855337|1.712144|1.552363|1.506472|1.601752|1.780377|1.863957|1.300113|2.356544|1.188262|5.215785|3.639840|7.221903|2.879170|2.578837|2.190657|2.057412|2.195899|2.587059|13.959366|0.129193|0.114260|0.096587|0.217712|0.153471|0.173347|0.500000| |3.276838|3.909741|0.134808|3.851100|4.335883|4.170818|3.542581|5.853955|5.482463|9.114028|17.727063|23.163848|2.544279|0.070915|2.230774|2.354492|4.106735|2.967864|1.971654|1.828056|1.662652|1.613050|1.709772|1.892579|1.995709|1.388907|2.511969|1.267663|4.568141|3.222550|6.136152|2.688810|2.407904|2.094397|2.005247|2.155774|2.501017|13.769236|0.094443|0.087079|0.078213|0.143173|0.129780|0.218404|0.289361|0.500000| |2.423852|2.536807|0.064941|3.136803|4.856174|6.306500|4.408171|4.631354|2.899218|2.547882|2.169883|36.050351|8.838662|0.212035|17.536242|6.914821|9.971295|7.920982|4.321511|3.659669|2.958677|2.732014|2.980321|3.706305|3.116158|2.061800|3.700714|1.797201|3.216315|2.026546|3.335526|1.890576|1.666973|1.555586|1.609824|1.805440|1.985049|11.657658|0.068774|0.059229|0.070952|0.072847|0.085661|0.074085|0.056982|0.055797|0.500000| |2.572825|2.642991|0.068525|3.273536|4.767366|6.122264|4.828449|5.142396|3.344618|2.839780|2.385296|45.207694|8.814751|0.173576|17.609176|6.965854|12.026080|6.759788|3.843160|3.140540|2.627991|2.532382|2.863306|3.573026|2.919050|1.977970|3.628453|1.718993|3.221596|2.030928|3.402919|1.852147|1.640735|1.514057|1.542246|1.710746|1.899239|11.099014|0.075520|0.062415|0.074096|0.083519|0.104250|0.081596|0.062812|0.060476|0.300405|0.500000| |3.085699|3.191244|0.079558|4.135579|6.478276|8.866911|6.186916|6.192640|3.660630|3.021449|2.521455|45.168118|8.837880|0.214361|17.612110|5.525574|8.431535|6.057030|3.395169|2.941325|2.445468|2.284023|2.479995|3.005846|2.664717|1.789561|3.224483|1.581274|3.907349|2.386109|3.907373|2.168596|1.885900|1.729179|1.771426|1.995097|2.246229|12.583695|0.088540|0.073012|0.091737|0.091912|0.108121|0.085577|0.066761|0.063217|0.301287|0.299470|0.500000| |2.162674|2.408595|0.063782|2.959206|4.542016|5.826975|4.117327|4.372764|2.792817|2.687148|2.283155|34.573358|7.707055|0.248888|5.523859|9.504648|10.885860|26.085636|9.332840|7.657499|4.929999|4.066892|4.279803|5.738709|4.284784|2.657342|4.626399|2.251475|3.145688|2.019184|3.314840|1.916932|1.682441|1.584471|1.663865|1.887843|2.057772|12.117309|0.060146|0.053852|0.061003|0.067917|0.080061|0.083346|0.057842|0.060706|0.163055|0.127897|0.126925|0.500000| |1.754432|1.935244|0.051904|2.259799|3.398179|3.996925|2.814532|3.233392|2.143276|2.128256|1.880474|22.236939|4.036821|0.122448|3.428781|4.825388|7.083023|9.985294|8.889173|17.691736|8.978217|5.643935|4.966253|5.654323|5.745508|3.278320|5.379494|2.771378|2.594611|1.717896|2.838617|1.672398|1.494953|1.434789|1.519834|1.706865|1.808526|11.330150|0.048408|0.044697|0.049371|0.053497|0.060671|0.065402|0.048025|0.051163|0.103715|0.085580|0.084032|0.234546|0.500000| |1.442716|1.567426|0.042583|1.772176|2.590173|2.926604|2.109263|2.529510|1.734967|1.747127|1.583648|16.614623|2.768730|0.079641|2.484034|3.284419|5.376905|5.745087|5.647553|8.979960|17.692469|8.887642|5.654206|4.967075|9.981870|4.812389|7.084682|4.042785|2.105719|1.425653|2.389640|1.397560|1.273394|1.233618|1.300463|1.433464|1.495249|9.859948|0.039978|0.037319|0.040371|0.044021|0.049287|0.053128|0.040764|0.043668|0.073895|0.065171|0.062107|0.116991|0.218317|0.500000| |1.436120|1.530779|0.042111|1.731619|2.439382|2.784440|2.131998|2.580860|1.846738|1.846453|1.666036|18.252993|2.881993|0.075268|2.618130|3.743426|7.228848|5.640971|5.650528|4.976915|5.668283|8.927615|17.828767|8.965156|9.512229|6.824157|15.081118|4.430130|1.983267|1.339918|2.291535|1.278161|1.170860|1.116651|1.150292|1.250869|1.327447|8.617232|0.040861|0.037051|0.039753|0.046715|0.054559|0.056023|0.042906|0.045709|0.074726|0.074038|0.063461|0.098071|0.107897|0.124197|0.500000| |1.744132|1.869234|0.051103|2.179839|3.080695|3.660618|2.873597|3.347103|2.368594|2.318479|2.025111|26.772634|4.425068|0.108323|3.817149|6.831305|15.030323|9.497929|8.925770|5.667675|4.977445|5.648861|8.967509|17.825651|5.645564|3.739692|7.240264|2.884356|2.377166|1.574777|2.680081|1.479140|1.336854|1.259902|1.294467|1.421121|1.533158|9.551526|0.050047|0.044275|0.048294|0.058625|0.071537|0.071137|0.051689|0.054586|0.106216|0.109631|0.087610|0.143012|0.124185|0.107907|0.217568|0.500000| |1.268824|1.361814|0.037310|1.515662|2.171798|2.416626|1.776066|2.176209|1.527923|1.545320|1.419700|14.104294|2.250000|0.062727|2.067520|2.661225|4.624159|4.284036|4.069463|4.930138|7.657950|9.348260|5.742085|4.281596|26.076919|9.476399|10.891786|7.738616|1.817372|1.243490|2.109347|1.215367|1.120151|1.086222|1.134890|1.234154|1.283373|8.653089|0.035414|0.033069|0.035337|0.039120|0.043734|0.046613|0.036755|0.039364|0.060527|0.055951|0.052027|0.083452|0.116972|0.234429|0.143130|0.098111|0.500000| |1.116261|1.189900|0.032840|1.303358|1.842258|2.014568|1.492865|1.867471|1.332581|1.357766|1.266564|11.736339|1.802466|0.049875|1.677566|2.074914|3.693099|3.168725|2.808706|3.112360|3.995187|4.750932|3.850399|3.039343|9.859731|8.786759|10.699637|17.560633|1.587885|1.098772|1.880327|1.075381|1.001232|0.973861|1.011974|1.088720|1.126402|7.765957|0.031223|0.029337|0.030949|0.034441|0.038111|0.040636|0.032971|0.035370|0.048354|0.046015|0.042859|0.061832|0.077622|0.116641|0.108755|0.075097|0.224733|0.500000| |1.079099|1.141569|0.031550|1.247505|1.751478|1.914723|1.431341|1.797958|1.294013|1.312477|1.226577|11.356302|1.727674|0.047108|1.626444|1.993953|3.630828|2.967487|2.598508|2.737912|3.348812|4.144289|3.713161|2.923478|7.853902|8.972206|13.510348|17.644802|1.512739|1.046947|1.800178|1.019209|0.951314|0.922592|0.953277|1.021491|1.060085|7.301330|0.030355|0.028379|0.029895|0.033554|0.037278|0.039076|0.032048|0.034175|0.046674|0.045249|0.041486|0.057054|0.067758|0.092438|0.112867|0.074616|0.151501|0.299341|0.500000| 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|6.344727|9.103876|0.183498|7.692904|11.130322|7.066587|4.402768|6.774326|3.907198|3.590614|3.318739|22.285050|2.887626|0.088546|2.730228|2.390696|3.855300|3.106618|1.972772|1.895413|1.674884|1.550871|1.592832|1.780144|1.905058|1.293398|2.285554|1.190795|26.079817|9.299577|10.839934|7.362690|4.880743|3.907161|3.916989|4.870558|7.316746|23.550471|0.134318|0.155145|0.181156|0.108952|0.091628|0.093982|0.091628|0.083120|0.070149|0.068492|0.085311|0.068300|0.056079|0.044903|0.041424|0.049744|0.038331|0.033228|0.031533|0.032391|0.500000| |3.610473|3.845925|0.107001|3.049823|3.916988|3.260155|2.285591|3.497977|2.433727|2.439036|2.551344|13.518639|1.756626|0.051586|1.687007|1.568325|2.629349|2.071384|1.384463|1.352168|1.241497|1.171384|1.192345|1.290000|1.478868|1.021850|1.806369|0.959155|6.612819|7.242317|13.584868|8.956927|17.758439|8.922969|5.666405|4.955039|5.663263|31.600034|0.085035|0.114828|0.094830|0.071473|0.059604|0.063211|0.074508|0.068077|0.044409|0.044267|0.050408|0.044364|0.039350|0.033751|0.031564|0.036019|0.029928|0.026892|0.025664|0.026087|0.120553|0.500000| 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