Version2.2 2021-02-09T11:49:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1Cl)Nc2c3ccoc3cc(n2)C(=O)NCCC4=c5ccccc5=[NH+]C4 C64772184 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1Cl)Nc2c3ccoc3cc(n2)C(=O)NCCC4=c5ccccc5=[NH+]C4 C01[X(C25H22Cl1N4O2)] 156 C1 528 O=C(c1nc(Nc2ccc(c(c2)Cl)C)c2c(c1)occ2)NCCC1=c2ccccc2=[NH+]C1 O=C(c1nc(Nc2ccc(c(c2)Cl)C)c2c(c1)occ2)NCCC1=c2ccccc2=[NH+]C1 Cc1ccc(Nc2nc(cc3occc23)C(=O)NCCC4=C5C=CC=CC5=[NH+]C4)cc1Cl InChIKey=WDALWBYHAWYSAK-UHFFFAOYSA-O InChI=1S/C25H21ClN4O2/c1-15-6-7-17(12-20(15)26)29-24-19-9-11-32-23(19)13-22(30-24)25(31)27-10-8-16-14-28-21-5-3-2-4-18(16)21/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,31)(H,29,30)/p+1 InChI=1/C25H21ClN4O2/c1-15-6-7-17(12-20(15)26)29-24-19-9-11-32-23(19)13-22(30-24)25(31)27-10-8-16-14-28-21-5-3-2-4-18(16)21/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,31)(H,29,30)/p+1/fC25H22ClN4O2/h27-29H/q+1 Cc1ccc(cc1Cl)Nc2c3ccoc3cc(n2)C(=O)NCCC4=c5ccccc5=[NH+]C4 C01[X(C25H22Cl1N4O2)] 156 C01 528 O=C(c1nc(Nc2ccc(c(c2)Cl)C)c2c(c1)occ2)NCCC1=c2ccccc2=[NH+]C1 O=[C]([NH]CCC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[C]1[CH][C]2[C]([C]([N]1)N[C]1[CH][CH][C]([C]([CH]1)Cl)C)[CH]=CO2 C[C]1[CH][CH][C]([CH][C]1Cl)N[C]2[N][C]([CH][C]3OC=C[C]23)C(=O)NCCC4=C5C=CC=C[C]5NC4 InChIKey=IAXICCFUNPMRBA-UHFFFAOYSA-N InChI=1S/C25H22ClN4O2/c1-15-6-7-17(12-20(15)26)29-24-19-9-11-32-23(19)13-22(30-24)25(31)27-10-8-16-14-28-21-5-3-2-4-18(16)21/h2-7,9,11-13,28H,8,10,14H2,1H3,(H,27,31)(H,29,30) InChI=1/C25H22ClN4O2/c1-15-6-7-17(12-20(15)26)29-24-19-9-11-32-23(19)13-22(30-24)25(31)27-10-8-16-14-28-21-5-3-2-4-18(16)21/h2-7,9,11-13,28H,8,10,14H2,1H3,(H,27,31)(H,29,30)/f/h27,29H 3090.7754623074 -1786.3519145 1-A 20860.2812 116 412 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89065 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1.7665 1.2200 2.4260 3.2972 2.4333 2.2176 2.2204 1.7480 1.4102 1.7047 1.1392 1.2121 2.2243 2.4498 1.6583 2.2753 1.9816 2.0019 6.6667 2.2450 1.6897 1.6330 2.7453 1.6417 2.4196 4.0152 3.6484 2.0414 2.1097 3.6914 1.8778 2.9837 5.2852 2.5463 7.9731 2.5174 1.6331 1.8030 1.8945 2.4508 4.2630 3.9379 5.0664 7.4629 9.6183 8.0563 10.0700 15.8524 8.2237 12.6190 12.2097 20.3772 6.3240 6.6295 6.6360 6.6518 6.9727 7.0675 7.0933 7.1061 7.1614 7.2640 7.3893 7.3784 7.4259 7.5166 7.5697 7.6066 7.6596 7.6764 7.9480 9.5275 9.5713 9.5624 0.3005 1.5834 0.9000 0.2928 1.2450 1.7870 5.7283 10.2781 3.2893 1.2350 1.0857 0.6737 0.0439 1.3468 4.6986 8.3904 1.7979 0.5024 0.6723 1.7448 4.5241 4.2437 5.0873 7.7754 3.3602 3.6460 4.8749 139.9884 7.7968 14.2427 19.7742 23.3055 6.4844 14.8395 4.5835 12.3457 32.4099 22.2058 18.7371 36.0517 13.2294 14.9209 36.6104 7.6670 38.5654 3.5492 2.5544 11.3825 2.0283 10.4332 13.4410 17.4197 13.5743 3.3166 6.0271 70.2980 82.1652 37.6873 3.4750 9.8419 12.4883 15.4398 33.1921 9.1332 8.0477 18.6601 5.5849 17.1064 23.4310 20.0206 0.1026 8.3769 17.8783 1.3268 1.3385 17.9679 3.2413 0.1983 4.5629 22.0606 30.5618 1.8423 36.8008 1.6739 1.1512 89.4279 20.3000 6.2023 17.4805 0.7362 107.8004 1.2404 25.1107 3.6247 40.2214 5.7035 17.1068 89.5496 91.3014 38.8608 45.9827 65.9978 14.0679 22.4165 60.8226 72.8694 26.3581 16.7544 68.9569 158.3153 143.4820 139.2186 3.7341 19.0379 20.9504 20.6914 247.2331 107.8531 5.9067 31.6659 7.5457 86.5522 69.9072 155.9459 710.4446 70.4872 1.8923 135.4198 47.3973 330.8979 242.6474 45.1814 550.3709 300.0876 27.4255 21.1738 9.9952 9.9622 18.0949 19.8342 3.2725 18.3268 14.9302 11.2172 16.2498 2.4600 0.0135 1.0172 1.7797 1.6672 2.1453 4.0106 0.4278 226.0103 164.8466 42.1342 3.1858 2.8188 4.8673 2.7016 3.1776 2.7756 3.5899 0.6389 0.8224 4.4100 0.4481 1.7099 0.2930 2.3340 3.7781 3.7274 0.5202 1.2757 1.2685 0.7428 0.9297 2.1761 0.9430 1.0029 1.8954 3.0904 2.9937 2.1694 0.7263 3.7706 5.5058 2.1783 1.6669 1.9486 1.8780 1.6222 4.0279 4.5287 8.5592 4.1462 1.5987 3.2691 3.0541 2.4617 4.3130 3.1297 0.6571 4.5598 0.8689 7.7661 7.1295 3.9676 15.7561 16.3485 4.3181 1.6121 7.3447 11.5208 1.9983 5.3793 3.9979 4.2554 1.5473 1.3873 3.8990 5.1571 4.9691 9.9785 27.7157 2.2382 3.1244 4.5091 13.2903 10.6534 10.6946 31.0121 4.1002 4.5907 9.5567 11.1676 5.1010 3.2747 2.8523 0.2265 4.2832 18.8537 1.5627 40.7592 8.1429 17.9887 9.0479 1.6796 18.2159 6.2533 10.7075 2.3469 20.0184 32.1917 77.9733 35.4021 94.2189 130.1105 1.9189 13.5268 91.5047 6.0746 11.1633 120.2893 153.7467 81.0629 27.8638 18.1388 24.5377 82.0814 20.0705 33.2378 5.3231 133.5567 21.3614 12.7168 9.2868 50.9325 1.7220 28.2676 214.9236 202.1550 81.1145 14.9815 110.8988 71.9366 300.8947 218.5055 100.2532 58.8422 164.1113 39.9257 137.6627 118.6216 82.3402 68.6994 51.9888 123.6118 50.5282 55.0203 160.6600 68.9610 80.3536 128.2682 211.9105 46.0946 68.8446 71.3876 188.6200 78.8429 101.0360 76.9520 0.7446 0.7016 0.7441 0.7463 0.6820 0.7241 0.7308 0.7496 0.5706 0.7452 0.7438 0.7012 0.6368 0.7366 0.3804 0.5435 0.7112 0.7092 0.0785 0.6677 0.5649 0.3325 0.4376 0.5752 0.3766 0.6642 0.3417 0.4911 0.4121 0.7127 0.4009 0.7500 0.3237 0.5086 0.3279 0.3703 0.2681 0.4161 0.3116 0.2944 0.6466 0.7238 0.5245 0.6892 0.7249 0.6869 0.5851 0.7496 0.4824 0.2956 0.3795 0.3166 0.1026 0.1011 0.7369 0.6925 0.7494 0.5621 0.2075 0.2358 0.7353 0.6086 0.7425 0.7485 0.7492 0.7500 0.7317 0.1017 0.2229 0.7117 0.7428 0.6166 0.5525 0.6918 0.5324 0.1834 0.5403 0.6863 0.6746 0.4271 0.1621 0.7498 0.7032 0.7121 0.1382 0.2700 0.7273 0.4599 0.7453 0.1363 0.1539 0.2133 0.2722 0.4247 0.3898 0.2664 0.7488 0.7435 0.0996 0.2436 0.2463 0.2609 0.2398 0.5269 0.2109 0.7235 0.4838 0.2317 0.1887 0.3355 0.3660 0.1732 0.3623 0.2811 0.4614 0.6564 0.3591 0.2537 0.7435 0.6964 0.6273 0.2304 0.6458 0.2835 0.3518 0.3187 0.6466 0.2669 0.3080 0.7434 0.3120 0.5625 0.4065 0.3520 0.0348 0.2013 0.1818 0.1030 0.7267 0.7493 0.2035 0.6161 0.7300 0.7150 0.2053 0.6244 0.7499 0.2917 0.1258 0.2655 0.4428 0.2565 0.2363 0.2355 0.3018 0.1219 0.8536 0.8247 0.8533 0.8547 0.8110 0.8400 0.8445 0.8569 0.7266 0.8540 0.8531 0.8244 0.7781 0.8483 0.5511 0.7043 0.8312 0.8299 0.1456 0.8008 0.7220 0.4991 0.6088 0.7303 0.5472 0.7982 0.5093 0.6587 0.5837 0.8322 0.5724 0.8571 0.4891 0.6743 0.4938 0.5404 0.4229 0.5877 0.4751 0.4548 0.7854 0.8398 0.6881 0.8160 0.8405 0.8144 0.7383 0.8569 0.6508 0.4563 0.5502 0.4810 0.1861 0.1836 0.8485 0.8183 0.8568 0.7197 0.3437 0.3816 0.8474 0.7567 0.8523 0.8561 0.8566 0.8571 0.8450 0.1847 0.3645 0.8316 0.8524 0.7629 0.7117 0.8178 0.6948 0.3099 0.7016 0.8140 0.8057 0.5986 0.2790 0.8570 0.8257 0.8318 0.2429 0.4252 0.8422 0.6300 0.8540 0.2399 0.2667 0.3516 0.4280 0.5962 0.5610 0.4208 0.8564 0.8529 0.1811 0.3917 0.3953 0.4139 0.3868 0.6902 0.3483 0.8396 0.6521 0.3763 0.3174 0.5025 0.5358 0.2953 0.5318 0.4388 0.6314 0.7925 0.5285 0.4047 0.8529 0.8210 0.7710 0.3746 0.7848 0.4418 0.5205 0.4833 0.7854 0.4214 0.4710 0.8528 0.4756 0.7200 0.5780 0.5207 0.0673 0.3351 0.3077 0.1867 0.8418 0.8567 0.3382 0.7625 0.8439 0.8338 0.3407 0.7688 0.8571 0.4516 0.2235 0.4196 0.6138 0.4082 0.3823 0.3812 0.4636 0.2173 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 6 6 6 6 6 6 6 17 7 6 6 6 6 8 6 6 6 7 6 8 7 6 6 6 6 6 6 6 6 6 7 1 6 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 34.96885 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 11728.8378 27598.7365 38012.6705 0.99999 0.00376 -0.00321 -0.00379 0.99994 -0.01021 0.00317 0.01023 0.99994 1 0.00738 0.00314 0.00228 0.15387 0.06539 0.04748 18.72 24.91 30.26 33.08 51.43 62.27 73.92 132.63 139.04 162.30 190.61 208.14 236.23 248.53 277.84 279.75 310.58 325.91 339.81 383.45 389.72 411.85 423.09 445.96 482.78 502.36 537.25 584.96 611.67 629.40 641.70 676.36 708.95 714.16 723.36 774.10 800.93 812.30 834.22 844.22 851.81 881.19 896.41 913.30 929.49 946.58 959.60 1031.12 1063.20 1092.27 1107.85 1127.75 1139.93 1190.34 1198.70 1216.55 1228.50 1242.81 1259.83 1267.71 1271.04 1315.29 1344.71 1366.94 1377.64 1423.80 1424.91 1432.92 1439.71 1459.58 1461.30 1482.79 1521.46 1551.69 1554.38 1576.19 1586.00 1610.11 1625.84 1655.75 1660.94 1663.74 1665.80 1688.77 1694.44 1719.58 1761.15 1781.39 1800.11 1817.06 1824.47 1864.68 1867.68 1879.61 1901.02 1914.06 1916.27 1960.81 1984.36 1991.54 2021.01 2037.70 2045.27 2064.85 2106.41 2110.17 2161.79 2198.21 2209.87 2232.17 2241.23 2247.82 2264.47 2270.89 2293.22 2297.68 2312.20 2331.71 2344.35 2355.52 2365.94 2382.59 2403.75 2428.27 2477.65 2493.99 2501.41 2543.36 2551.78 2579.48 2599.73 2618.49 2659.77 2737.39 4629.14 4672.87 4681.15 4689.43 4713.84 4743.59 4752.71 4762.81 4774.09 4838.90 4867.68 4875.78 4892.33 4904.58 4917.81 4943.60 4956.84 4962.28 5025.59 5568.10 5575.62 5583.92 0.461224 0.486976 0.487920 0.400748 -1785.890691 -1785.864939 -1785.863994 -1785.951167 2.923797D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE Cc1ccc(cc1Cl)Nc2c3ccoc3cc(n2)C(=O)NCCC4=c5ccccc5=[NH+]C4 C64772184 RHF 6-31G(d) (6D,10F) C1 445.143129 |X|Y|Z| 119.816853 77.447100 22.494144 59.319504 29 6 7 8 24 4 1 |36.858105| |12.627157|36.858105| |7.545829|13.717222|36.858105| |5.001027|7.848575|13.767538|36.858105| |4.399132|6.751005|7.934167|13.751755|36.858105| |4.978916|7.823713|6.917377|7.975013|13.725112|36.858105| |7.483393|13.694381|8.076160|6.954044|7.963222|13.798057|36.858105| |6.169737|6.991848|4.776692|4.243214|4.783912|7.106710|10.880337|448.794386| |3.318668|4.501607|5.170541|7.890936|13.503546|7.797757|5.154863|29.871205|53.358707| |2.851196|3.667879|3.963685|5.291988|7.661358|6.124968|4.287525|27.265797|18.942818|36.858105| |2.370608|2.914882|3.161993|4.034137|5.081123|4.259241|3.271118|21.940291|10.770827|13.473020|36.858105| |2.143567|2.580998|2.847007|3.578639|4.172463|3.477281|2.797868|18.953537|8.210039|7.156171|13.161189|36.858105| |1.883614|2.213671|2.394269|2.889755|3.292702|2.884145|2.393076|16.771043|5.919796|5.267015|8.619810|14.271752|36.858105| |1.865248|2.183907|2.316365|2.754984|3.194306|2.890066|2.397096|17.105840|5.597621|5.389782|8.561305|8.536033|14.039494|73.516695| |2.111341|2.522479|2.662494|3.224394|3.911665|3.533540|2.831923|19.919512|7.123833|7.985986|13.854057|8.480345|8.811116|25.398354|36.858105| |2.131429|2.525008|2.591427|3.047792|3.715142|3.554122|2.885108|20.901156|6.232364|6.823970|7.821895|5.295873|5.408133|13.893723|13.646365|36.858105| |2.467965|2.985315|3.008375|3.544053|4.519103|4.487058|3.528864|25.317429|7.296339|8.287418|7.068650|4.637286|4.301206|9.435039|8.242188|13.955482|36.858105| |2.913807|3.704459|3.783401|4.691875|6.630605|6.347129|4.515047|29.995719|11.181817|14.577328|8.079060|5.043432|4.243313|8.404250|7.036680|7.921174|14.187941|53.358707| |2.424943|2.847065|2.765261|3.088935|3.775661|4.019650|3.378256|25.858063|5.493487|5.247836|4.542953|3.397312|3.248188|6.916300|5.136025|7.706772|12.699335|10.776139|36.858105| |2.118260|2.419942|2.354866|2.586889|3.049829|3.210187|2.798712|22.003319|4.438334|4.085933|3.823802|3.016028|3.004103|6.514836|4.531411|6.756628|8.003354|7.352775|15.718615|73.516695| |2.791513|3.282896|3.074208|3.332005|4.068125|4.624480|4.006585|31.562546|5.462584|4.802394|3.897671|3.007127|2.797017|5.650688|4.037226|5.220006|7.908442|9.737010|14.196495|15.167865|53.358707| |2.619608|2.934700|2.686978|2.792060|3.244818|3.724450|3.488987|29.753299|4.249165|3.532280|3.018060|2.455280|2.327383|4.644461|3.143844|3.901705|5.069706|6.334887|7.886933|12.431480|18.037811|36.858105| |2.344884|2.566779|2.408378|2.487768|2.776943|3.031333|2.896978|23.982337|3.675106|3.031933|2.685806|2.236553|2.155582|4.308347|2.840817|3.487704|4.226752|5.181116|6.095420|11.047583|10.367795|12.202633|36.858105| |2.004624|2.156694|2.033772|2.096182|2.318630|2.508279|2.406472|20.248553|3.118816|2.565733|2.355407|2.007023|1.973526|3.961082|2.538635|3.093323|3.518250|4.224031|4.832348|9.882010|7.145118|7.497782|12.738172|36.858105| |1.873035|1.971379|1.848189|1.875638|2.041632|2.212236|2.169775|18.609113|2.719626|2.188125|2.022817|1.758995|1.731361|3.422841|2.152346|2.539668|2.826632|3.499866|3.625655|7.148208|5.381511|5.365809|7.395111|14.020496|36.858105| |1.911885|1.970507|1.828644|1.821953|1.953625|2.128894|2.141819|18.675689|2.555901|2.011722|1.845238|1.620173|1.580931|3.075132|1.924739|2.216484|2.476347|3.171670|3.055924|5.726581|4.679276|4.557113|5.811706|7.424287|13.207989|36.858105| |1.721276|1.753785|1.632966|1.620883|1.723778|1.866965|1.886921|16.490326|2.262360|1.766964|1.639614|1.459615|1.431362|2.766993|1.708228|1.938762|2.124561|2.734553|2.543579|4.779482|3.793953|3.496331|4.143186|5.132325|7.953787|14.198279|36.858105| |1.549289|1.588006|1.491868|1.494077|1.593605|1.712219|1.709822|14.811651|2.119520|1.666141|1.568662|1.405578|1.392379|2.702894|1.651632|1.874589|2.015122|2.559609|2.394028|4.605533|3.454408|3.094372|3.588451|4.644869|6.881571|7.867551|13.174523|36.858105| |1.520799|1.578694|1.492986|1.512417|1.626995|1.740220|1.711672|14.679650|2.190787|1.744511|1.656630|1.479908|1.478006|2.899247|1.768759|2.031188|2.161391|2.691758|2.596907|5.151562|3.652664|3.254929|3.798251|5.283974|7.654298|6.614061|7.712522|14.064500|36.858105| |1.655252|1.741254|1.647737|1.682894|1.829833|1.961625|1.907869|16.259838|2.474079|1.997735|1.887070|1.661450|1.658102|3.290850|2.033752|2.387957|2.569574|3.140574|3.205666|6.543509|4.496503|4.144025|5.100991|8.410218|13.208387|7.648464|6.815396|8.071781|13.436283|36.858105| |1.628273|1.736009|1.657969|1.716994|1.884611|2.003794|1.912947|16.057275|2.591443|2.129225|2.037582|1.785920|1.802017|3.632735|2.241865|2.682074|2.834329|3.361374|3.580201|7.744915|4.770425|4.231540|5.086008|8.271849|8.452560|5.296789|4.657349|5.258894|7.717706|14.512922|53.358707| |1.512762|1.611652|1.547696|1.607723|1.761067|1.859217|1.768986|14.780642|2.441598|2.005959|1.947972|1.725360|1.758170|3.548913|2.158013|2.558292|2.636901|3.121526|3.228423|6.991027|4.198362|3.564669|4.077960|5.825451|5.923339|4.236639|3.951173|4.642366|6.813568|9.280574|26.020615|0.500000| |1.804797|1.956507|1.872497|1.960557|2.181905|2.321647|2.181318|18.073504|3.017261|2.530188|2.396423|2.052233|2.061183|4.218729|2.667483|3.313262|3.585378|4.115257|4.865175|11.295376|6.333245|5.700667|7.256778|12.715861|8.209529|5.079468|4.101353|4.150082|5.191589|8.360185|17.893633|0.243920|36.858105| |17.563777|8.839095|5.873563|4.286834|3.940484|4.548632|6.627479|50.722616|4.162403|2.718674|2.267900|2.032202|1.807057|3.221608|2.055521|2.110810|2.460670|3.888124|2.481140|3.868694|3.965965|2.803528|2.525813|2.143146|2.014808|2.084668|1.867957|1.660887|1.617081|1.759750|2.332963|0.043959|1.897940|0.500000| |17.569106|8.845929|5.878568|4.283555|3.940480|4.560595|6.635991|50.706980|4.170720|2.650577|2.233939|2.038628|1.800107|3.162080|1.998554|2.013006|2.308988|3.668592|2.272425|3.560310|3.528975|2.458619|2.183242|1.896678|1.785582|1.824461|1.656897|1.499092|1.470516|1.590699|2.128608|0.040522|1.719605|0.302780|0.500000| |17.596430|8.896089|7.298333|4.771147|3.961072|4.162849|5.561695|36.735246|4.189973|2.639244|2.235417|2.054784|1.809714|3.161026|1.990505|1.989739|2.267229|3.606904|2.210091|3.467017|3.397736|2.344206|2.147172|1.851830|1.737681|1.775535|1.609740|1.454803|1.427215|1.545603|2.071041|0.039422|1.677922|0.301501|0.301534|0.500000| |7.024012|8.952309|17.721526|8.973671|5.658482|4.975496|5.704901|31.532066|5.717298|3.348687|2.789751|2.581617|2.201503|3.762958|2.384905|2.311184|2.622163|4.333584|2.432416|3.754534|3.633442|2.383342|2.187984|1.870503|1.717176|1.710831|1.540229|1.409073|1.404635|1.538452|2.099511|0.040127|1.725852|0.152609|0.152716|0.225641|0.500000| |4.090694|5.615259|8.932168|17.710610|8.915065|5.657442|4.993608|27.480535|9.847022|5.005502|4.064702|3.770731|3.014799|4.990065|3.216435|2.957236|3.317799|5.778927|2.851747|4.319314|4.061763|2.518744|2.298197|1.960188|1.758200|1.702899|1.523851|1.413543|1.434665|1.591207|2.218831|0.042630|1.853671|0.099559|0.099373|0.113875|0.217181|0.500000| |4.076462|5.611724|4.982202|5.662403|8.904835|17.800688|8.950910|54.813625|9.661644|6.453064|4.492878|3.563511|2.999150|5.460959|3.822297|3.947234|5.129080|9.844376|4.605111|6.412472|7.203076|4.145501|3.221982|2.681358|2.342024|2.222586|1.942726|1.791774|1.835840|2.084200|2.921874|0.055323|2.505941|0.107370|0.107897|0.095935|0.108028|0.124196|0.500000| |3.069313|4.032660|4.831322|7.354920|9.319343|5.860508|4.332908|25.861852|26.084499|9.472640|7.511721|6.791769|4.622365|7.275590|4.892338|4.067439|4.427570|8.163255|3.416570|5.091098|4.553419|2.695295|2.390520|2.064973|1.820336|1.717483|1.534522|1.445257|1.492666|1.671843|2.382919|0.046139|2.014159|0.077774|0.079312|0.081118|0.114170|0.217010|0.147801|0.500000| |2.178672|2.623627|2.951202|3.741528|4.208189|3.421207|2.788578|18.648431|8.114889|6.035865|8.365261|17.805314|8.878799|10.392209|5.787194|4.135497|3.836416|5.878643|2.949421|4.668471|3.676072|2.244811|2.049942|1.841618|1.632428|1.520359|1.376728|1.322570|1.382903|1.539897|2.231413|0.043992|1.863648|0.056672|0.057731|0.058518|0.075039|0.112699|0.094862|0.208102|0.500000| |1.718806|1.989269|2.147275|2.541445|2.818859|2.501104|2.124281|15.076734|4.847418|4.080277|5.825502|8.654295|17.842240|16.465905|6.060905|4.289451|3.498795|4.666735|2.781687|4.678532|3.306567|2.070810|1.940993|1.801388|1.597547|1.464220|1.336348|1.306815|1.386694|1.542962|2.279213|0.045702|1.889410|0.045830|0.045854|0.046172|0.055584|0.074107|0.071772|0.106193|0.197102|0.500000| |1.933153|2.241609|2.279661|2.614132|3.089354|3.013942|2.532976|18.869279|4.958059|4.933828|5.574594|4.308789|4.679418|12.142036|8.738544|17.801225|8.898178|7.688183|7.044689|13.217571|6.440547|3.770712|3.489433|3.222295|2.634647|2.257587|1.982961|1.943893|2.138397|2.530304|3.967376|0.078221|3.619754|0.053593|0.050972|0.050324|0.057223|0.070737|0.092411|0.092121|0.096712|0.109286|0.500000| |3.234204|3.951789|3.652877|3.989930|5.062154|6.029388|5.034472|37.851204|6.481856|5.525867|4.161840|3.174189|2.861033|5.625961|4.058064|4.928718|7.596848|11.656868|9.466319|10.905708|26.028880|8.947023|5.904211|4.241053|3.394052|3.085096|2.547836|2.305732|2.395311|2.863043|4.052640|0.073916|3.756648|0.093251|0.082380|0.079096|0.085761|0.096245|0.192420|0.106428|0.080160|0.068567|0.118502|0.500000| |2.382054|2.641243|2.421172|2.519708|2.933009|3.364890|3.139913|27.461171|3.912841|3.264788|2.868791|2.361783|2.269121|4.556903|3.040808|3.787961|4.704556|5.695854|7.157884|12.717153|12.549762|17.590496|8.713430|7.513059|5.546704|4.517842|3.554609|3.243204|3.494969|4.502873|6.407992|0.110217|6.290890|0.070098|0.063246|0.059387|0.060002|0.063584|0.106365|0.069694|0.059868|0.056433|0.104546|0.187004|0.500000| |2.924688|3.229881|2.860462|2.888397|3.319604|3.952405|3.884542|35.036032|4.174818|3.329049|2.800064|2.311673|2.163576|4.221813|2.826489|3.357130|4.293114|5.789987|5.817147|9.003525|12.682852|17.635494|8.771717|5.965200|4.864507|4.551970|3.515955|3.018471|3.059873|3.730460|4.946740|0.086333|4.502969|0.088830|0.076206|0.071503|0.070189|0.071226|0.120492|0.073553|0.059653|0.053745|0.088657|0.231291|0.304070|0.500000| |2.455051|2.636266|2.452070|2.478373|2.703740|2.956795|2.919919|24.368748|3.493254|2.797889|2.462899|2.081000|1.990008|3.904824|2.546266|3.016944|3.613644|4.657667|4.766990|8.267089|8.238505|8.715728|17.603792|8.988505|6.968861|6.468716|4.454117|3.641015|3.659170|4.652767|5.893963|0.098473|5.460376|0.074834|0.063005|0.062553|0.062373|0.063450|0.085159|0.063512|0.053669|0.050066|0.082654|0.145579|0.179698|0.230120|0.500000| |2.294277|2.547296|2.449068|2.577977|2.874089|3.039942|2.842249|22.558028|3.881139|3.268785|2.920743|2.409553|2.333088|4.718025|3.135431|3.920207|4.734937|5.622876|6.831822|12.475013|10.402776|8.797059|17.619043|9.059830|5.754117|4.617605|3.516533|3.153088|3.383308|4.436613|6.371215|0.107887|6.832408|0.067842|0.058872|0.058959|0.061937|0.066970|0.088811|0.070250|0.060775|0.058054|0.109402|0.164863|0.185316|0.181462|0.303455|0.500000| |2.103368|2.153659|1.980725|1.953079|2.083165|2.285719|2.333526|20.468077|2.685010|2.093039|1.893642|1.656886|1.601090|3.094065|1.950217|2.232622|2.534843|3.310187|3.111129|5.635981|4.937116|4.847471|6.149501|6.565123|8.711112|17.747220|9.031430|5.589469|4.818356|5.498860|5.840169|0.098153|4.427872|0.064583|0.055369|0.054053|0.051434|0.050394|0.065674|0.049921|0.043357|0.041050|0.062212|0.092146|0.126285|0.142322|0.215479|0.133284|0.500000| |1.707804|1.717260|1.593707|1.567033|1.651441|1.788847|1.830186|16.079720|2.151467|1.661861|1.539366|1.378906|1.347198|2.582625|1.589155|1.782052|1.951639|2.548170|2.293369|4.234460|3.439359|3.099844|3.562166|4.101697|5.626128|9.044206|17.756200|8.770873|5.588159|4.927453|5.021965|0.089948|3.354883|0.051743|0.045770|0.044502|0.041989|0.040927|0.051301|0.040682|0.036345|0.035026|0.050245|0.065398|0.086343|0.088855|0.108904|0.085509|0.215720|0.500000| |1.447407|1.473456|1.386569|1.384187|1.467773|1.571692|1.575862|13.651627|1.951894|1.524452|1.442023|1.303075|1.292492|2.494246|1.512706|1.698172|1.811095|2.316835|2.111752|4.029614|3.028960|2.647418|2.989254|3.680645|4.957803|5.657260|8.799859|17.722320|9.095384|5.700329|5.715170|0.108490|3.396624|0.043005|0.039068|0.037913|0.036557|0.036486|0.045515|0.037170|0.034204|0.033859|0.048832|0.056883|0.076828|0.072480|0.084654|0.074451|0.124079|0.215618|0.500000| |1.409029|1.463238|1.391097|1.413745|1.518965|1.614930|1.582022|13.496614|2.059474|1.640476|1.574308|1.417479|1.425307|2.795379|1.688089|1.926369|2.017991|2.506651|2.383738|4.753159|3.288530|2.843142|3.225163|4.288689|5.495099|4.818903|5.522610|8.950106|17.752464|8.750962|9.234526|0.192617|4.538393|0.041353|0.037979|0.036863|0.036449|0.037422|0.047344|0.039187|0.036808|0.037350|0.056739|0.060280|0.085234|0.074069|0.085501|0.082073|0.105274|0.123178|0.216838|0.500000| |1.758760|1.916448|1.860990|1.965916|2.176299|2.269537|2.115154|17.116190|3.046672|2.578534|2.478377|2.125445|2.155102|4.454875|2.800614|3.501988|3.688808|4.162905|4.869336|11.543434|6.024735|4.970017|6.489175|8.892064|6.228337|4.297370|3.562894|3.600245|4.380330|6.309908|12.316929|0.204544|17.562390|0.051119|0.046291|0.045759|0.047835|0.052143|0.067368|0.056814|0.053309|0.054915|0.108523|0.100549|0.141901|0.110380|0.139823|0.196956|0.107703|0.083166|0.084130|0.110240|0.500000| 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