Version2.2 2021-02-13T16:50:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)NC(=O)CS[C@@H]2NN[C@@H](N2N)[C@@H]3C=C(N=N3)c4ccc(cc4)Cl C38995057 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)NC(=O)CS[C@@H]2NN[C@@H](N2N)[C@@H]3C=C(N=N3)c4ccc(cc4)Cl C01[X(C21H24Cl1N7O1S1)] 159 C1 521 O=C(Nc1ccc(cc1C)C)CS[C@@H]1NN[C@@H](N1N)[C@H]1N=NC(=C1)c1ccc(cc1)Cl O=C(Nc1ccc(cc1C)C)CS[C@@H]1NN[C@@H](N1N)[C@H]1N=NC(=C1)c1ccc(cc1)Cl Cc1ccc(NC(=O)CS[C@@H]2NN[C@H]([C@@H]3C=C(N=N3)c4ccc(Cl)cc4)N2N)c(C)c1 InChIKey=DSZBFOVRECIAPL-SESVDKBCSA-N InChI=1S/C21H24ClN7OS/c1-12-3-8-16(13(2)9-12)24-19(30)11-31-21-28-27-20(29(21)23)18-10-17(25-26-18)14-4-6-15(22)7-5-14/h3-10,18,20-21,27-28H,11,23H2,1-2H3,(H,24,30)/t18-,20-,21+/m0/s1 InChI=1/C21H24ClN7OS/c1-12-3-8-16(13(2)9-12)24-19(30)11-31-21-28-27-20(29(21)23)18-10-17(25-26-18)14-4-6-15(22)7-5-14/h3-10,18,20-21,27-28H,11,23H2,1-2H3,(H,24,30)/t18-,20-,21+/m0/s1/f/h24H Cc1ccc(c(c1)C)NC(=O)CS[C@@H]2NN[C@@H](N2N)[C@@H]3C=C(N=N3)c4ccc(cc4)Cl C01[X(C21H24Cl1N7O1S1)] 159 C01 521 O=C(Nc1ccc(cc1C)C)CS[C@@H]1NN[C@@H](N1N)[C@H]1N=NC(=C1)c1ccc(cc1)Cl O=C(N[C]1[CH][CH][C]([CH][C]1C)C)CS[C@@H]1NN[C@@H](N1N)[C@H]1N=NC(=C1)[C]1[CH][CH][C]([CH][CH]1)Cl C[C]1[CH][CH][C](NC(=O)CS[C@@H]2NN[C@H]([C@@H]3C=C(N=N3)[C]4[CH][CH][C](Cl)[CH][CH]4)N2N)[C](C)[CH]1 InChIKey=DSZBFOVRECIAPL-SESVDKBCSA-N InChI=1S/C21H24ClN7OS/c1-12-3-8-16(13(2)9-12)24-19(30)11-31-21-28-27-20(29(21)23)18-10-17(25-26-18)14-4-6-15(22)7-5-14/h3-10,18,20-21,27-28H,11,23H2,1-2H3,(H,24,30)/t18-,20-,21+/m0/s1 InChI=1/C21H24ClN7OS/c1-12-3-8-16(13(2)9-12)24-19(30)11-31-21-28-27-20(29(21)23)18-10-17(25-26-18)14-4-6-15(22)7-5-14/h3-10,18,20-21,27-28H,11,23H2,1-2H3,(H,24,30)/t18-,20-,21+/m0/s1/f/h24H 3310.6216668418 -2122.0802272 1-A 20268.7468 120 401 521 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1.0396 0.9695 1.1293 1.6476 2.5664 1.2240 0.9874 2.0370 1.4035 2.0728 1.2239 1.2413 2.2834 1.8613 2.3355 1.6937 2.0429 1.9161 1.2865 2.8511 3.6107 2.1085 1.1731 2.3957 1.8640 2.1385 2.5748 2.3837 2.4163 2.2435 2.5740 2.0046 1.7326 1.8896 1.7997 1.8932 2.1697 1.6102 2.1214 1.9198 3.8291 2.3657 1.8838 2.4932 2.1193 1.7262 1.6474 1.6521 1.7731 1.8544 2.0433 3.6661 3.4744 3.7256 11.6397 13.8723 8.3531 13.0359 10.9114 2.2119 21.4469 20.0869 6.2711 6.5783 6.5946 6.3054 6.6745 6.8711 6.9405 6.9795 6.7489 7.0123 7.3058 7.2195 7.2352 7.3365 7.4220 7.4703 7.4863 7.5323 7.7006 8.6063 8.4654 9.3840 9.3168 9.3518 0.4461 0.1153 0.1968 0.7358 0.2289 0.7134 1.5005 0.2661 0.2020 1.1658 0.3248 3.7926 1.2695 4.3305 0.2115 2.0201 3.2419 4.3101 7.4480 2.6349 2.5801 10.1259 1.9701 2.0487 1.8670 9.6729 3.6096 3.8497 24.5706 11.1369 3.4741 10.5729 6.2886 5.2645 3.8036 8.4464 2.9415 3.0366 6.7243 8.3784 7.7510 3.6159 20.0189 14.2889 39.6547 15.0070 17.8877 0.2826 70.7999 7.8233 15.7669 19.4973 0.7357 1.5426 8.1602 5.0439 26.5871 35.5989 1.4449 13.3745 114.9794 13.3343 20.9237 72.3706 2.5703 3.8234 12.6514 6.0975 1.7191 11.2060 31.6880 5.9973 132.9472 1.8606 0.5882 4.3730 58.6530 43.3309 0.5652 0.1750 1.8060 33.6008 13.7163 2.2286 5.7430 11.1252 12.4235 57.0337 14.8694 6.9576 18.4417 68.1130 0.1984 32.6501 3.4139 3.5377 37.5561 9.7502 19.6747 22.1206 4.9904 22.5649 68.4354 77.2916 2.4198 2.1503 4.8860 4.6434 3.5504 121.5371 55.1588 25.8893 29.1897 9.2953 10.9925 2.0271 7.6768 25.7925 21.9621 0.3609 8.7960 4.0720 34.4156 43.7770 86.3466 25.4389 327.1663 2.2114 6.3684 56.5276 29.7948 3.4260 29.6363 10.1132 354.4306 49.9943 27.6375 68.0360 25.6151 1.7928 31.0063 20.6885 24.7059 8.3352 25.6312 7.3741 28.0767 22.1843 8.0876 3.2056 8.7702 5.3160 1.5153 1.1414 3.3561 4.1235 3.2733 254.9158 19.3496 2.0424 6.1319 2.5248 0.9509 1.7017 1.7387 2.7806 2.1017 1.4140 1.4836 0.9444 0.6719 1.3710 0.2659 0.3157 0.7294 1.7070 1.0575 1.2565 1.1610 1.8291 1.3764 0.6518 0.3990 1.2934 1.0406 0.6534 1.1757 2.2208 1.6632 3.3643 2.7317 5.1525 1.9561 2.5600 2.2769 0.9618 0.6833 4.5276 6.3503 0.7621 10.1029 1.1340 2.7567 4.6966 1.3807 4.3354 8.5485 6.3579 2.6291 8.4638 9.4618 5.3445 2.6715 1.6699 15.9770 4.6701 9.0422 2.6931 10.0468 3.7046 0.8783 2.1381 3.8111 11.8704 10.3018 4.3813 2.5028 12.3571 5.2662 14.0839 2.7940 0.9162 1.0795 3.5446 1.0774 1.4567 8.1008 7.1756 1.5499 5.2476 3.9133 2.8170 1.0885 0.6443 3.9074 10.2775 28.2963 2.4531 3.3489 1.4965 4.8197 5.9848 17.6353 0.5300 25.3636 2.6218 119.6506 6.3947 36.6499 10.2758 15.5336 15.3343 28.1476 9.8935 1.6631 2.8925 5.8434 8.7168 7.7277 3.5644 1.1460 6.1123 8.9037 12.7631 9.5498 10.9975 10.1918 9.3577 11.7904 21.4720 8.9216 20.1939 2.3482 1.8514 4.3965 8.3602 4.1912 23.9082 25.2640 765.6358 57.2641 8.6130 266.0060 9.8427 181.4151 76.8219 110.9974 151.6798 112.6884 105.8501 99.3005 62.2288 89.8847 68.4007 46.0244 76.6834 102.3112 26.8824 67.0608 73.5332 96.6305 107.4333 57.0353 28.3926 110.1481 82.1410 129.8532 70.3703 0.7466 0.7488 0.7405 0.7025 0.7241 0.7488 0.7273 0.7420 0.7426 0.7101 0.7345 0.7085 0.7496 0.4367 0.6228 0.7455 0.0927 0.6654 0.7235 0.4463 0.7461 0.6443 0.6312 0.4616 0.3106 0.3010 0.6331 0.3906 0.2299 0.6975 0.5693 0.7498 0.1579 0.5830 0.5276 0.6304 0.5337 0.0621 0.1848 0.7408 0.6373 0.2079 0.4182 0.0529 0.5255 0.3409 0.4055 0.7363 0.2848 0.3038 0.2917 0.3366 0.1980 0.4814 0.5331 0.1333 0.2776 0.1129 0.7476 0.1094 0.5274 0.7498 0.6714 0.3316 0.1081 0.4982 0.7108 0.6499 0.1839 0.3052 0.2839 0.6377 0.1343 0.6378 0.7377 0.6279 0.5520 0.6575 0.5996 0.7470 0.1846 0.7348 0.7496 0.6948 0.3782 0.4567 0.3100 0.1581 0.1677 0.1427 0.7324 0.7111 0.5478 0.2925 0.7373 0.1817 0.6948 0.3327 0.2173 0.2572 0.7395 0.7365 0.1307 0.5417 0.6403 0.7137 0.3259 0.6727 0.4468 0.1952 0.7463 0.6785 0.4408 0.4084 0.2926 0.6308 0.6200 0.2804 0.6231 0.7472 0.7463 0.7400 0.7262 0.7310 0.7495 0.4639 0.6383 0.3225 0.1680 0.2981 0.3320 0.5627 0.6608 0.3333 0.2850 0.0585 0.3831 0.2738 0.0195 0.1974 0.7489 0.6534 0.7473 0.1443 0.7068 0.7449 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0.4985 0.7202 0.7958 0.4999 0.4435 0.1105 0.5540 0.4299 0.0382 0.3297 0.8564 0.7904 0.8554 0.2521 0.8282 0.8538 0.5641 0.4637 0.7978 0.7327 0.3220 0.3670 0.2703 0.5751 0.3488 0.2847 0.7107 0.3334 0.4309 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 6 6 6 6 6 6 6 6 7 6 8 6 16 6 1 7 7 6 1 7 7 6 1 6 6 7 7 6 6 6 6 6 6 17 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 10899.1542 28491.9598 35990.6736 0.99978 0.02102 -0.00207 -0.02101 0.99978 0.00177 0.00211 -0.00172 1.00000 1 0.00795 0.00304 0.00241 0.16559 0.06334 0.05014 15.52 25.23 26.31 32.83 38.97 44.19 56.39 66.27 94.02 108.32 123.76 129.84 170.41 198.13 209.28 241.50 275.65 287.14 294.01 307.34 322.99 366.01 405.91 426.79 437.58 464.56 488.06 489.52 520.88 527.17 565.50 573.56 607.23 652.89 657.21 709.64 719.83 726.45 771.45 778.95 818.89 850.97 852.68 893.51 913.55 949.61 965.25 998.44 1017.06 1033.64 1083.01 1122.31 1131.61 1141.02 1150.62 1153.27 1207.94 1259.45 1272.70 1289.57 1324.44 1345.31 1352.83 1371.06 1385.85 1396.40 1411.46 1427.35 1456.81 1472.29 1505.62 1525.71 1535.75 1561.10 1567.37 1581.49 1585.46 1588.74 1589.74 1596.59 1608.38 1656.24 1666.93 1682.62 1686.20 1716.52 1725.85 1741.94 1758.91 1771.41 1798.40 1809.58 1824.01 1856.07 1880.28 1884.31 1911.89 1940.34 1945.33 1975.09 1978.32 1987.76 2013.07 2038.96 2050.87 2061.28 2091.05 2097.02 2106.91 2111.03 2135.71 2181.43 2212.20 2248.35 2250.70 2254.91 2266.24 2293.73 2308.93 2349.71 2350.73 2355.68 2364.61 2397.05 2404.57 2419.39 2479.93 2534.20 2573.42 2573.86 2614.97 2622.57 2675.46 2699.14 2825.64 4606.34 4611.16 4619.75 4622.54 4652.95 4682.73 4704.15 4715.77 4725.85 4726.85 4817.76 4821.15 4827.31 4862.43 4888.54 4896.73 4899.17 4915.04 4961.65 5304.04 5313.53 5496.15 5504.37 5521.43 0.473614 0.501327 0.502271 0.408573 -2121.606613 -2121.578900 -2121.577956 -2121.671654 3.142646D-04 MUNgauss RevisionA2.1 retrievium 13-Feb-2021 DUDE Cc1ccc(c(c1)C)NC(=O)CS[C@@H]2NN[C@@H](N2N)[C@@H]3C=C(N=N3)c4ccc(cc4)Cl C38995057 RHF 6-31G(d) (6D,10F) C1 457.145158 |X|Y|Z| 118.389123 71.771371 33.190601 65.578184 26 6 7 16 19 6 1 |36.858105| |12.606660|36.858105| |7.550797|13.708160|36.858105| |5.019770|7.912227|13.801741|36.858105| |4.423377|6.814141|7.924979|13.725036|36.858105| |4.987971|7.824107|6.839395|7.912688|13.686003|36.858105| |7.544248|13.745091|8.008715|6.939582|7.973880|13.692035|36.858105| |3.780723|4.999807|4.434209|5.008383|7.520593|12.605388|7.565561|36.858105| |3.325893|4.517767|5.145236|7.820412|13.401130|7.828258|5.157519|6.598172|53.358707| |2.885468|3.721239|4.336537|6.228437|7.755442|5.340194|4.005172|4.792694|19.141850|36.858105| |2.935145|3.735922|4.496309|6.302419|6.696798|4.771556|3.833736|4.115607|11.468128|15.903404|73.516695| |2.366007|2.907952|3.255073|4.241330|5.024479|3.994058|3.139772|3.951961|10.670268|12.513884|14.323955|36.858105| |2.120048|2.532015|2.895465|3.652647|3.887179|3.128158|2.615233|2.990516|7.082482|6.876291|10.409048|10.440257|388.023441| |2.031181|2.402104|2.689987|3.303260|3.554861|2.966266|2.501644|2.891792|6.262579|5.003155|7.339308|6.590582|73.908585|36.858105| |1.937676|2.258550|2.549154|3.067761|3.166849|2.659450|2.303793|2.547965|5.275261|4.197144|6.536392|5.065619|58.635320|17.539295|0.500000| |1.820659|2.117833|2.302030|2.738380|3.001693|2.631208|2.238673|2.674160|5.144661|4.000922|5.971757|5.353543|47.915335|13.099826|0.255516|53.358707| |1.886069|2.202516|2.343503|2.771606|3.143980|2.835094|2.382338|2.981972|5.393852|3.917098|5.695194|5.018950|36.647248|8.143285|0.167999|18.211437|53.358707| |2.072184|2.441675|2.618060|3.115596|3.511327|3.124818|2.626490|3.191837|5.926554|4.040578|5.834929|4.714535|34.785044|8.179230|0.177845|11.774664|18.023424|36.858105| |1.931957|2.234906|2.394301|2.781065|3.028102|2.727843|2.363239|2.749751|4.869132|3.369033|5.063871|3.819318|29.809094|6.860000|0.172642|10.169983|12.591038|17.520519|0.500000| |2.269782|2.731524|3.044657|3.790940|4.202448|3.485068|2.884424|3.377965|7.478671|5.249933|7.356031|6.094673|49.048422|13.182784|0.251232|11.450981|11.448554|13.087985|0.250969|53.358707| |2.439961|2.933452|3.350049|4.136004|4.289765|3.507533|2.998054|3.223546|6.932036|4.664589|6.929842|4.726432|38.408825|7.823044|0.206554|7.454124|7.315655|7.963180|0.202278|18.602085|53.358707| |2.240859|2.653764|2.757320|3.227983|3.774276|3.531530|2.942297|3.740167|6.126479|3.840362|5.538432|4.146116|27.375001|5.195949|0.120776|7.183126|10.413193|12.486322|0.247786|10.525364|8.577101|36.858105| |2.429461|2.888842|3.014541|3.504765|4.012990|3.736957|3.164734|3.782288|6.194081|3.758745|5.509329|3.819528|25.747094|4.744270|0.115680|6.066210|7.681882|9.025652|0.214311|9.875244|9.808591|17.522523|0.500000| |1.996327|2.296937|2.328696|2.625835|3.014032|2.953443|2.549080|3.225647|4.663866|3.017635|4.520141|3.261127|21.718531|3.920662|0.095579|5.848387|8.323830|7.420836|0.189442|6.773910|5.900501|12.780757|0.246793|36.858105| |2.015290|2.317903|2.300670|2.576251|3.030735|3.081061|2.637767|3.556262|4.660321|2.990618|4.480031|3.208489|20.279031|3.424837|0.082810|5.089207|7.028238|5.503087|0.134165|5.665856|4.915274|8.429891|0.178863|14.372424|36.858105| |2.267697|2.681295|2.654470|3.044376|3.771192|3.870885|3.147502|4.728615|6.005745|3.699325|5.358618|3.926391|23.045923|3.737249|0.087578|5.329532|7.259215|5.635343|0.126439|6.314047|5.322861|8.609129|0.184013|8.485674|13.265942|53.358707| |2.432249|2.946572|3.004518|3.577603|4.509104|4.345241|3.417951|4.974333|7.653473|4.525258|6.281113|4.806391|27.951976|4.702631|0.106455|6.371922|8.810044|7.669276|0.155613|8.760596|7.029389|13.042997|0.257960|8.261814|8.669643|21.191094|53.358707| |1.831087|2.059786|2.013637|2.202562|2.548861|2.652567|2.337945|3.093454|3.803806|2.497692|3.845792|2.657386|16.911213|2.748156|0.068106|4.105873|5.300916|3.922211|0.100764|4.304348|3.845006|5.116767|0.121301|7.437391|12.935165|10.353709|7.301976|36.858105| |1.856855|2.077684|1.995176|2.159337|2.520475|2.702977|2.396176|3.268492|3.696283|2.423238|3.766654|2.533381|15.718769|2.450145|0.060852|3.585696|4.447958|3.247998|0.082553|3.774833|3.407865|4.081287|0.100728|5.069247|7.661785|8.987523|6.333872|13.697184|36.858105| |1.679031|1.843795|1.763835|1.880792|2.152172|2.309367|2.098962|2.735801|3.106093|2.075195|3.290291|2.161352|13.639578|2.096890|0.052919|3.068479|3.678617|2.660297|0.069266|3.154470|2.891551|3.177338|0.080543|3.842890|5.064470|6.078069|4.734502|7.894472|13.757845|36.858105| |1.528576|1.664375|1.606750|1.707915|1.920673|2.026194|1.860724|2.327245|2.772494|1.875627|2.995491|1.968063|12.748147|1.983908|0.050663|2.934645|3.487492|2.516452|0.067161|2.954102|2.725367|2.934363|0.074731|3.639060|4.484479|5.085957|4.148786|6.864132|7.976397|13.795195|36.858105| |1.511357|1.651818|1.613072|1.725342|1.928666|2.000072|1.829173|2.256098|2.810219|1.905390|3.028894|2.020222|13.333164|2.127693|0.054511|3.193091|3.845853|2.785507|0.075719|3.179727|2.926486|3.244814|0.081790|4.258395|5.061025|5.278915|4.373010|7.890794|6.873764|7.920742|13.758699|36.858105| |1.637542|1.814131|1.784540|1.932955|2.180830|2.240569|2.016688|2.529620|3.225182|2.164322|3.388523|2.314024|15.251587|2.498394|0.063271|3.786576|4.749455|3.480881|0.094067|3.816181|3.463454|4.223390|0.103114|6.147763|7.641981|6.870764|5.537294|13.675052|7.956442|6.883264|7.984589|13.798400|36.858105| |1.372182|1.472302|1.417965|1.490222|1.652278|1.743543|1.628704|1.973956|2.356529|1.614271|2.618704|1.683029|11.010155|1.685300|0.043567|2.473477|2.849296|2.050347|0.055295|2.466909|2.304133|2.314306|0.060102|2.739921|3.180705|3.813331|3.253222|4.217814|4.771597|7.041114|10.940340|7.040091|4.776674|448.794386| |17.532844|8.842050|6.485704|4.525993|3.971380|4.354710|6.057611|3.416007|4.182978|2.756061|5.110314|2.265896|14.462443|1.915956|0.050921|2.344221|2.406802|1.915737|0.049674|2.861110|3.041062|2.042056|0.060660|1.829008|1.851238|2.829263|3.018906|1.694710|1.725056|1.571714|1.434240|1.414258|1.523266|10.412328|0.500000| |17.574192|8.832140|5.585988|4.180916|3.960459|4.722121|7.195757|3.801827|4.177955|2.648167|4.705196|2.218142|14.058483|1.918466|0.050659|2.374222|2.486610|2.000892|0.051906|2.926474|3.113340|2.196052|0.065942|1.987868|2.028633|3.093739|3.259415|1.864534|1.910405|1.736308|1.574467|1.545733|1.665246|11.378688|0.301965|0.500000| |17.553845|8.834252|6.915063|4.657101|3.957154|4.214849|5.734758|3.277423|4.178332|2.692106|4.864107|2.238587|14.630178|1.993851|0.053436|2.423881|2.496970|2.032798|0.053233|3.034267|3.325479|2.183784|0.066465|1.947812|1.940040|2.925730|3.153655|1.760274|1.766094|1.601342|1.471508|1.465491|1.588852|10.625571|0.302270|0.301706|0.500000| |6.990347|8.898842|17.698452|8.961246|5.647219|4.933201|5.669222|3.545917|5.686098|3.745541|7.101211|2.915638|19.226689|2.510488|0.067437|2.923562|2.932555|2.398276|0.061946|3.791513|4.234392|2.479374|0.075251|2.118984|2.073435|3.187640|3.581535|1.830503|1.805168|1.612243|1.483404|1.494503|1.644395|10.595594|0.178426|0.140899|0.201787|0.500000| |4.093483|5.637368|8.935304|17.753402|8.945820|5.644432|4.989411|4.087825|9.802308|6.644715|12.719513|4.526067|29.450460|3.619340|0.094991|3.948857|3.872530|3.193476|0.079742|5.502388|6.131028|3.165633|0.094878|2.556003|2.463182|3.897389|4.625992|2.100599|2.034508|1.779355|1.632199|1.662246|1.864520|11.463637|0.106110|0.096196|0.110092|0.216260|0.500000| |7.016077|8.951153|5.677577|4.984699|5.669375|8.958519|17.694801|7.081020|5.691848|3.372676|5.734998|2.766968|16.516602|2.248813|0.057686|2.797808|3.003067|2.406710|0.060642|3.499283|3.596016|2.727476|0.080741|2.435359|2.563213|4.114781|4.309469|2.324707|2.428748|2.150295|1.893940|1.839614|2.005960|13.392126|0.159814|0.220506|0.147012|0.124428|0.108112|0.500000| |3.353317|4.292607|3.945779|4.517432|6.531892|8.789959|5.942180|17.557850|8.752824|4.597679|6.759140|4.019004|21.890115|3.114165|0.075323|3.974368|4.594470|3.679453|0.086682|5.123799|4.813877|4.582961|0.127745|3.916864|4.432878|8.601723|8.950277|3.717679|3.894136|3.127284|2.625742|2.562585|2.938219|17.420324|0.083356|0.094146|0.083562|0.089885|0.106238|0.156603|0.500000| |3.837112|4.779104|3.992144|4.186569|5.574423|8.876119|7.317953|17.584433|6.564791|3.802547|6.074162|3.246484|18.189178|2.490356|0.061956|3.186004|3.538397|2.759319|0.067525|3.890477|3.761082|3.227979|0.091000|2.908574|3.244056|5.603422|5.587434|2.942789|3.203068|2.744904|2.317870|2.208444|2.428645|15.985490|0.096637|0.112082|0.090940|0.090782|0.096260|0.227709|0.302145|0.500000| |3.318505|4.263877|3.977848|4.622117|6.790448|8.847098|5.823912|17.556635|9.262409|5.316661|8.061092|4.427352|22.564677|2.963539|0.071765|3.760457|4.156750|3.148578|0.074727|4.563848|4.213779|3.557521|0.096508|3.079196|3.415073|6.225511|6.501934|2.997695|3.185367|2.684841|2.283616|2.206495|2.461730|15.624457|0.086294|0.091269|0.080595|0.090579|0.109184|0.150845|0.302872|0.301644|0.500000| |3.052345|4.010653|4.340277|5.947320|9.157696|6.986658|4.703660|6.861346|25.971828|9.404260|10.842673|7.557484|36.157153|4.975162|0.112491|5.729189|6.381951|5.271383|0.114875|8.732215|7.570786|5.749132|0.156853|4.150550|4.170857|7.765706|10.846019|3.265465|3.127476|2.559681|2.266725|2.311479|2.704312|15.181773|0.077567|0.080211|0.078969|0.100145|0.153087|0.110593|0.212518|0.137450|0.191217|0.500000| |2.307046|2.823335|3.068186|3.904390|4.815554|4.032637|3.128566|4.231462|10.204442|8.743763|10.445869|17.664425|56.047648|6.801542|0.138012|8.285314|8.619368|5.672702|0.120717|9.290607|6.639513|5.047898|0.122376|3.883446|3.870709|6.713221|8.475258|3.113413|2.935998|2.449277|2.211047|2.278610|2.654636|14.910402|0.060744|0.060968|0.060576|0.075723|0.111126|0.077735|0.125516|0.095682|0.131529|0.240082|0.500000| |2.211179|2.668359|2.940334|3.690431|4.274218|3.568232|2.876043|3.608421|8.125980|9.032713|13.180615|17.630772|57.157983|5.148773|0.117001|6.220995|5.794497|3.846591|0.089729|6.265715|5.094032|3.456402|0.088364|2.861637|2.874262|4.709465|5.435721|2.458832|2.385297|2.067444|1.883551|1.915496|2.160205|13.080226|0.059692|0.057824|0.057824|0.073989|0.108180|0.071561|0.099445|0.084511|0.115734|0.156901|0.301256|0.500000| |1.732332|2.004396|2.169038|2.564603|2.812499|2.486075|2.121489|2.551386|4.804154|3.869191|5.881772|5.388427|47.515729|9.145188|0.198324|25.991870|12.893275|6.150778|0.150883|8.359668|5.951657|4.341067|0.103009|3.716986|3.390611|4.880413|5.604109|2.830387|2.522529|2.185323|2.088835|2.249545|2.621411|14.272890|0.045897|0.046153|0.046849|0.056347|0.075359|0.054388|0.076300|0.062433|0.074547|0.106949|0.166882|0.135909|0.500000| |1.967391|2.319935|2.451096|2.927358|3.427499|3.107285|2.553576|3.360409|6.084821|4.416784|6.236110|5.909236|37.794789|7.114914|0.144196|12.950054|25.780779|9.565980|0.183808|10.222828|6.674452|7.360446|0.149718|5.838445|5.467487|8.507728|10.385507|4.101528|3.540600|2.878072|2.660830|2.868264|3.520807|17.343385|0.051320|0.053027|0.052587|0.061833|0.082398|0.065673|0.106418|0.080222|0.097739|0.151298|0.231499|0.138606|0.232896|0.500000| |2.238564|2.628451|3.006051|3.597487|3.595757|2.997069|2.636192|2.762061|5.622407|3.985004|6.199738|4.116511|36.274799|7.476839|0.236556|7.208600|6.577807|6.595047|0.189965|12.990626|25.801657|5.055757|0.155108|3.796673|3.163803|4.510099|5.642961|2.549762|2.261292|1.951350|1.863644|2.010740|2.353650|12.793909|0.057469|0.058240|0.062908|0.079672|0.110912|0.065231|0.082801|0.067111|0.074320|0.120975|0.114981|0.093886|0.118141|0.118789|0.500000| |2.723874|3.355572|3.990115|5.170305|5.162832|3.971394|3.368594|3.477134|8.243226|5.459732|8.145900|5.057400|39.736700|6.684359|0.175713|6.338545|6.149358|5.990197|0.148193|13.222129|25.923179|5.260366|0.166984|3.758358|3.286624|5.006799|6.540925|2.622804|2.383553|2.033058|1.899114|2.008701|2.343654|12.993812|0.069092|0.069730|0.075735|0.102257|0.163075|0.080412|0.103361|0.081788|0.092365|0.172140|0.137629|0.109826|0.108927|0.121090|0.324678|0.500000| |1.844144|2.087683|2.122188|2.358362|2.633053|2.572350|2.275365|2.750059|3.993621|2.641894|4.043975|2.848524|19.721549|3.583304|0.090621|5.409273|7.242477|6.324945|0.186462|5.941702|5.400069|8.358499|0.195095|17.799840|8.818605|7.874550|7.753259|6.359966|4.398286|3.552810|3.545033|4.343247|6.243498|21.798154|0.047084|0.051034|0.050449|0.054393|0.064383|0.060670|0.089992|0.070085|0.073044|0.095378|0.091483|0.070375|0.095756|0.133607|0.100661|0.094649|0.500000| |2.022484|2.287732|2.175316|2.363158|2.818945|3.091676|2.697306|3.914481|4.126097|2.661899|4.109018|2.744259|16.517877|2.522712|0.062092|3.623901|4.465392|3.276435|0.081369|3.912922|3.524006|4.150550|0.103222|4.759707|7.075808|10.280134|6.977833|8.914266|17.760173|8.953030|5.672942|4.955763|5.653813|31.641003|0.052104|0.057963|0.052859|0.054058|0.061105|0.076370|0.132430|0.107090|0.106027|0.097669|0.088804|0.071778|0.071015|0.101379|0.064202|0.069474|0.110925|0.500000| |1.668070|1.819400|1.725124|1.825094|2.086404|2.266873|2.079212|2.707620|2.977066|1.995651|3.192696|2.057439|12.886697|1.942405|0.049167|2.811008|3.304855|2.386439|0.061979|2.897983|2.673533|2.803635|0.072097|3.241654|4.120274|5.304159|4.245748|5.626237|8.907723|17.750140|8.933309|5.642962|4.959903|53.794389|0.043572|0.048194|0.043957|0.043798|0.047746|0.059848|0.084314|0.077032|0.074209|0.067299|0.064089|0.055208|0.056045|0.072269|0.050212|0.052801|0.083215|0.215547|0.500000| |1.404852|1.524354|1.494834|1.591948|1.758059|1.809761|1.669576|2.008982|2.552082|1.746976|2.799908|1.853671|12.438129|1.986272|0.051483|2.986145|3.526441|2.551358|0.070686|2.932658|2.722508|2.886219|0.073677|3.702668|4.116215|4.420903|3.804433|5.622955|4.955024|5.644017|8.919701|17.750571|8.915560|53.811647|0.036629|0.039839|0.038030|0.038746|0.042855|0.046567|0.062554|0.054672|0.054666|0.057725|0.057459|0.048994|0.058596|0.071920|0.052584|0.051824|0.108908|0.107616|0.124253|0.500000| |1.595845|1.767427|1.757829|1.909916|2.130730|2.151975|1.940472|2.376125|3.166782|2.140817|3.354599|2.306597|15.589186|2.618311|0.066899|4.021264|5.057595|3.741514|0.104746|3.993592|3.632835|4.422337|0.107755|6.729338|7.031108|6.299559|5.399119|8.882559|5.647400|4.958508|5.679184|8.989762|17.729609|31.695461|0.041232|0.044797|0.043314|0.045262|0.051668|0.053125|0.076146|0.062758|0.064205|0.073580|0.073198|0.059438|0.076390|0.100311|0.069305|0.067193|0.216495|0.124051|0.107662|0.216464|0.500000| 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