Version2.0 2020-07-17T02:43:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE OC5CCN(CCCOc3n[nH]c4ncnc(Nc2ccc(OCc1ccccn1)c(Cl)c2)c34)CC5 437161 CHEMBL257860 RHF 6-31G(d) (6D,7F) OC5CCN(CCCOc3n[nH]c4ncnc(Nc2ccc(OCc1ccccn1)c(Cl)c2)c34)CC5 C01[X(C25H28Cl1N7O3)] 186 C1 600 OC1CCN(CC1)CCCOc1n[nH]c2c1c(ncn2)Nc1ccc(c(c1)Cl)OCc1ccccn1 OC1CCN(CC1)CCCOc1n[nH]c2c1c(ncn2)Nc1ccc(c(c1)Cl)OCc1ccccn1 OC1CCN(CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 InChIKey=YJELZTGEMAQGHU-UHFFFAOYSA-N InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) InChI=1/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32)/f/h30-31H OC5CCN(CCCOc3n[nH]c4ncnc(Nc2ccc(OCc1ccccn1)c(Cl)c2)c34)CC5 C01[X(C25H28Cl1N7O3)] 186 C01 600 OC1CCN(CC1)CCCOc1n[nH]c2c1c(ncn2)Nc1ccc(c(c1)Cl)OCc1ccccn1 O[C@@H]1CCN(CC1)CCCO[C]1[N]N[C]2[C]1[C]([N][CH][N]2)N[C]1[CH][CH][C]([C]([CH]1)Cl)OC[C]1[CH][CH][CH][CH][N]1 OC1CCN(CCCO[C]2[N]N[C]3[N][CH][N][C](N[C]4[CH][CH][C](OC[C]5[CH][CH][CH][CH][N]5)[C](Cl)[CH]4)[C]23)CC1 InChIKey=YJELZTGEMAQGHU-UHFFFAOYSA-N InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) InChI=1/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32)/f/h30-31H 3659.8321640628 -2028.1966845 1-A 34871.7366 134 466 600 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1.2022 2.5031 2.3693 1.2899 1.3997 1.2482 1.3633 2.4572 2.4135 1.4529 1.5808 1.5291 1.7146 2.5972 1.6389 1.5706 2.1444 2.4630 1.1428 1.3351 2.1940 1.1278 1.1061 1.1034 1.2818 2.0698 1.1128 1.1224 2.7373 3.6141 6.9947 5.9841 5.3857 5.5742 6.1024 7.3798 2.9543 1.0754 1.0744 1.0743 1.0842 1.0677 1.0566 1.0638 1.0660 1.0813 1.0589 1.0985 1.0882 1.1090 1.1029 1.1056 1.0912 1.1086 1.0889 1.0923 1.0929 1.0930 1.0981 1.0912 1.0947 1.0936 1.0782 1.0826 1.0668 0.0000 0.0002 0.0006 0.0009 0.0013 0.0021 0.0058 0.0083 0.0101 0.0149 0.0148 0.0115 0.0266 0.0406 0.0617 0.0615 0.0715 0.0963 0.0752 0.2134 0.1517 0.1553 0.2268 0.1539 0.0897 0.1205 0.2368 0.1521 0.0873 0.1208 0.2807 0.3129 0.4821 0.2218 0.6433 0.6762 0.4379 0.7579 0.5237 0.2651 0.4656 0.4022 0.5060 0.4612 0.5564 1.2932 1.3643 0.4813 1.5916 0.3193 1.3691 0.8419 1.6050 0.8207 1.6387 2.4378 2.7095 2.8784 3.8993 1.4907 1.4109 0.4460 1.6048 0.5144 2.6584 2.7295 2.6537 0.7488 5.1041 2.1570 0.9823 0.7612 0.7498 3.9291 0.8802 0.7627 2.5672 1.3121 1.5654 1.0503 0.9408 5.3150 0.9935 2.2582 2.2857 1.1210 1.0179 1.9591 2.1806 2.4509 1.3846 2.9315 1.4586 2.3447 1.8520 4.6193 4.4539 3.1722 1.8019 3.7775 2.3093 4.2406 2.3990 1.5125 2.0094 1.5350 1.5534 1.4375 1.3719 3.9042 2.5201 2.8097 1.4529 1.2211 1.6070 1.4892 5.6000 1.5194 1.8663 2.6909 1.5296 1.4813 3.0997 3.0132 1.6517 1.8170 1.6545 1.8633 3.4014 3.4026 2.0742 2.2586 2.1936 2.5068 3.8606 2.4509 2.3648 3.2649 3.8330 1.7798 2.1247 3.4965 1.8022 1.7826 1.7823 2.0741 3.3754 1.8288 1.8563 4.6043 6.3660 12.9535 11.2672 10.2460 10.7435 11.8459 14.5130 5.9021 6.0578 6.0774 6.1439 6.3435 6.4198 6.4523 6.5122 6.5469 6.6599 6.5682 6.8487 6.7998 6.9623 6.9308 6.9618 6.9340 7.1112 7.2560 7.3230 7.3586 7.3984 7.4654 7.4710 7.5955 7.7638 9.4157 9.8898 10.5810 0.0581 1.1811 0.0888 0.1367 0.6097 2.1003 0.0475 0.0297 0.4962 0.3081 0.4910 1.0324 2.0674 1.6802 1.9713 4.0180 1.7448 1.0865 0.2184 0.0695 0.4704 3.2015 1.8990 1.1409 1.0931 3.8057 2.5403 1.5029 78.5839 70.7860 64.6221 11.4058 6.2971 5.1329 3.7354 0.1043 4.1040 0.8421 1.8773 26.1097 0.1254 12.8627 4.2093 3.0961 1.3613 1.0678 14.5155 88.9375 1.1271 36.0587 2.0777 1.2351 8.9817 11.9579 18.9048 4.8726 17.5682 14.5170 1.7801 4.2052 9.4501 0.7141 8.4313 47.7008 11.0426 17.6166 10.7086 1.7943 52.0507 27.1491 4.9306 54.1061 1.2394 20.0316 32.2056 1.9557 87.6669 3.0452 15.0779 2.0751 0.6775 5.2785 0.0127 21.7524 21.5915 0.1085 0.7479 16.7170 8.4103 9.2199 0.1064 4.7770 26.9295 10.6032 41.0132 188.4840 25.5887 148.2860 3.8022 0.4975 98.6072 74.7203 22.8894 7.4874 13.3509 37.1672 32.0520 1.8235 29.0257 202.2984 268.2738 11.7581 33.8099 3.6641 13.5395 14.0328 527.7169 1.9422 27.1742 127.8225 5.5377 8.0110 94.1193 18.5810 14.3266 6.6850 8.9401 5.3755 41.0173 125.2970 140.7692 59.5699 36.7854 204.1809 29.9150 9.6538 31.7092 60.4310 63.0447 5.8374 157.9807 492.5477 2.2338 2.5295 13.2006 0.7447 23.0029 3.8935 49.4351 330.0349 340.9221 120.2260 31.3416 209.4943 52.3345 361.5404 399.0241 675.7512 17.5339 40.3072 123.5325 86.4503 59.9883 17.1714 25.6644 5.4325 8.9100 25.8113 31.5555 59.9820 30.8880 14.1824 63.7314 44.1388 69.7489 15.3757 25.6462 6.5231 39.9552 31.4286 12.4040 0.8773 4.4479 74.9102 170.1395 38.3779 6.2499 0.3171 0.5790 0.2233 1.5674 2.1329 0.6525 1.2584 0.7643 0.8033 3.1913 1.1690 0.1758 1.3068 0.7444 1.0126 1.1884 1.8571 1.8204 0.5398 0.6771 2.8891 2.7219 3.1075 0.7751 0.9925 0.6485 0.3353 2.4695 0.8206 0.1103 0.3393 0.2190 0.5994 3.2512 4.1040 0.6006 5.2570 1.5730 0.9125 0.1413 0.9494 1.3884 0.6087 2.6050 3.1999 2.3008 0.7548 3.9446 2.2627 0.7058 1.5710 2.6348 1.5336 4.8281 3.8328 0.3354 1.9927 0.6950 4.1494 0.3921 0.1556 16.1522 1.2792 3.4533 8.4771 9.5960 2.1961 0.8724 41.0555 0.9922 1.3669 0.4586 7.1841 2.4211 0.9574 1.2442 2.7331 2.9343 1.6152 1.8292 29.0727 1.5467 1.4281 7.5995 2.6451 0.3294 9.0625 15.8971 1.1091 0.0165 16.2559 2.4904 1.8709 0.8648 3.4999 11.4001 15.2733 1.5816 2.6011 0.5493 45.3391 6.2333 3.8796 8.4724 2.8974 3.5920 5.9785 2.7104 126.9800 36.0852 27.6190 7.1910 10.7812 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0.0545 0.2334 0.3191 0.4778 0.0904 0.7936 0.5295 0.8569 0.3025 0.8567 0.4484 0.7655 0.5999 0.8568 0.4496 0.4583 0.2792 0.4486 0.3307 0.3400 0.2587 0.4299 0.4695 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 8 6 6 6 7 6 6 6 8 6 7 7 1 6 7 6 7 6 7 6 6 6 6 8 6 6 6 6 6 6 7 6 17 6 6 6 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 1 1 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 14.00307 1.00783 12.00000 14.00307 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 34.96885 12.00000 12.00000 12.00000 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 1.00783 1.00783 19446.6359 44941.4044 63861.1627 0.99984 -0.01767 0.00030 0.01767 0.99984 -0.00173 -0.00027 0.00173 1.00000 1 0.00445 0.00193 0.00136 0.09280 0.04016 0.02826 2.20 15.52 17.21 22.80 31.99 38.51 56.32 66.34 78.74 97.82 129.43 137.94 145.88 166.96 191.50 217.50 229.07 243.44 255.24 292.23 308.84 336.85 340.94 343.90 349.53 377.28 407.59 415.50 444.31 459.51 537.54 545.10 555.73 587.09 590.50 612.79 661.71 664.53 675.25 702.64 715.17 724.37 762.65 765.61 781.52 823.17 848.92 863.20 888.26 917.18 925.20 946.22 978.81 988.38 1006.36 1059.75 1099.97 1112.83 1131.65 1139.76 1171.07 1187.42 1232.71 1233.76 1242.43 1258.81 1288.36 1290.44 1305.93 1318.21 1332.44 1355.84 1384.72 1390.18 1436.71 1454.72 1459.61 1460.38 1545.40 1560.57 1570.75 1574.52 1582.10 1585.66 1607.91 1635.84 1636.72 1638.48 1654.04 1665.76 1667.87 1691.20 1705.11 1710.33 1727.77 1736.91 1750.19 1752.41 1753.50 1757.85 1769.71 1818.14 1826.06 1838.03 1844.69 1863.68 1873.58 1898.48 1936.06 1958.11 1967.36 1977.81 1980.97 2002.72 2002.89 2044.89 2055.50 2060.34 2061.66 2069.91 2074.43 2080.68 2085.88 2113.84 2121.04 2135.66 2158.02 2191.40 2205.37 2225.61 2239.65 2240.56 2245.06 2266.44 2285.29 2292.19 2299.98 2312.85 2338.34 2339.20 2364.63 2366.26 2369.46 2379.57 2382.28 2384.38 2393.71 2402.95 2410.50 2431.03 2487.72 2550.81 2572.04 2585.38 2602.26 2611.58 2628.61 2649.36 4448.74 4458.03 4482.50 4533.98 4596.35 4631.94 4637.68 4645.27 4651.84 4668.36 4680.37 4685.61 4696.51 4698.85 4703.54 4725.14 4747.33 4838.58 4853.29 4863.78 4876.67 4887.28 4904.51 4937.50 4994.41 5539.19 5665.34 5903.32 0.560174 0.590589 0.591534 0.488708 -2027.636511 -2027.606095 -2027.605151 -2027.707976 3.448767D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE OC5CCN(CCCOc3n[nH]c4ncnc(Nc2ccc(OCc1ccccn1)c(Cl)c2)c34)CC5 437161 CHEMBL257860 RHF 6-31G(d) (6D,10F) C1 509.194216 |X|Y|Z| 101.549851 155.633491 18.373139 66.219908 34 6 7 8 25 7 2 |73.516695| |24.111914|36.858105| |14.335391|12.540942|36.858105| |9.103036|7.589992|12.486358|36.858105| |8.120720|6.540334|7.741100|13.088877|53.358707| |6.044402|4.430376|5.065632|7.908736|17.861077|36.858105| |5.213529|3.598068|3.883142|5.072449|10.423655|12.456063|36.858105| |4.266392|2.847115|3.076979|3.901384|6.796287|7.571418|12.552285|36.858105| |3.844700|2.492789|2.627361|3.139191|5.339406|5.093780|8.035691|13.394221|73.516695| |3.352218|2.137912|2.250215|2.640935|4.263603|3.921602|5.262692|8.092464|25.513672|36.858105| |3.173718|2.023664|2.149579|2.541855|3.969378|3.683666|4.514376|6.967861|14.617932|14.834951|53.358707| |2.821235|1.770652|1.864526|2.150387|3.289671|2.915279|3.448745|4.679713|9.938202|9.012434|18.952432|53.358707| |2.668720|1.668723|1.760586|2.023667|3.038600|2.668105|3.039865|3.995224|7.892282|6.255536|12.640758|26.133595|0.500000| |2.752520|1.712817|1.785086|2.024829|3.125057|2.699865|3.265677|4.195244|9.686180|8.596031|11.571294|19.454830|0.252560|36.858105| |2.499244|1.537226|1.592181|1.776317|2.703556|2.274674|2.677630|3.249085|7.125579|5.412730|7.326936|10.798750|0.190107|14.255297|53.358707| |2.479808|1.515276|1.557322|1.717128|2.627530|2.171881|2.578204|3.013741|6.723035|4.765024|5.911364|7.449087|0.131463|8.699245|19.858728|36.858105| |2.649836|1.619323|1.655464|1.818808|2.825420|2.319680|2.823903|3.230524|7.514462|5.071661|5.745723|6.520744|0.111656|7.155324|10.854656|14.260020|53.358707| |2.948880|1.822430|1.869209|2.080149|3.300472|2.758798|3.508619|4.106327|10.488210|7.166675|7.117370|7.428048|0.120017|8.008381|9.279749|8.355777|19.626796|36.858105| |3.196223|1.972913|2.005345|2.211717|3.578383|2.930872|3.831144|4.179472|10.680532|6.020707|5.928538|5.684549|0.095664|5.266270|6.258221|5.387362|11.102064|14.120501|53.358707| |3.096704|1.880449|1.887615|2.032021|3.250580|2.563023|3.220614|3.309601|7.636992|4.172812|4.484110|4.377194|0.076944|3.898150|4.999612|4.420367|8.709145|7.585134|18.399752|36.858105| |2.765420|1.661360|1.661622|1.771403|2.773055|2.168146|2.622301|2.716452|6.001066|3.424902|3.876776|3.938645|0.070827|3.534749|4.847611|4.500392|8.747482|6.132515|10.452752|13.761579|36.858105| |2.674592|1.586658|1.574473|1.651909|2.561043|1.960311|2.316491|2.337451|4.957991|2.771031|3.227112|3.254250|0.059740|2.811968|3.876564|3.450177|6.027196|4.248156|6.954139|7.931051|13.724208|36.858105| |2.850957|1.678757|1.654179|1.714645|2.666750|2.002676|2.356539|2.305410|4.796892|2.591445|3.020009|2.974910|0.054809|2.500107|3.359775|2.871412|4.850870|3.628600|6.148042|6.775566|7.864292|13.763014|36.858105| |2.718735|1.580762|1.548605|1.584056|2.431505|1.800583|2.070129|2.006871|4.062763|2.195011|2.613687|2.577734|0.048126|2.127505|2.877941|2.415014|3.913342|2.891196|4.665860|4.586269|5.178615|7.872874|14.174766|73.516695| |2.446263|1.418391|1.391856|1.423879|2.160251|1.606490|1.823563|1.792068|3.601144|1.982562|2.398993|2.401055|0.045249|1.981956|2.733826|2.302316|3.647703|2.605987|4.022872|3.775142|4.506419|6.708682|8.012433|24.176308|36.858105| |2.354088|1.350673|1.319608|1.335457|2.006422|1.475425|1.648201|1.605142|3.164791|1.732952|2.122806|2.115074|0.040190|1.717691|2.359877|1.947887|3.012025|2.172504|3.306779|2.961471|3.336396|4.402584|5.216556|14.239759|12.623045|36.858105| |2.472907|1.407426|1.368164|1.371109|2.057007|1.494376|1.659152|1.592567|3.106919|1.678894|2.057147|2.027412|0.038539|1.629095|2.210531|1.800386|2.775266|2.042390|3.137154|2.771813|2.977290|3.752439|4.670294|12.351252|7.479699|13.751520|36.858105| |2.333455|1.317632|1.278517|1.272714|1.890379|1.366372|1.497386|1.436117|2.767610|1.498368|1.855340|1.829515|0.035010|1.456667|1.978891|1.595049|2.419756|1.778379|2.688453|2.307673|2.450511|2.958469|3.486543|8.207351|5.026000|8.024254|13.755251|36.858105| |2.134297|1.206919|1.174334|1.172721|1.732436|1.259155|1.374107|1.330248|2.560356|1.399860|1.746191|1.735129|0.033365|1.381464|1.893326|1.526178|2.291117|1.662904|2.473952|2.099544|2.263696|2.707572|3.041289|6.869764|4.517701|7.026657|7.976711|13.779103|36.858105| |2.068789|1.177904|1.150389|1.157664|1.713933|1.256714|1.378608|1.347854|2.613968|1.442215|1.798946|1.801923|0.034650|1.445183|1.999249|1.625709|2.440648|1.746861|2.580695|2.203834|2.439298|2.965476|3.229231|7.287447|5.283164|8.393718|7.037868|8.038486|13.757454|36.858105| |2.157274|1.236391|1.210039|1.225432|1.827138|1.347807|1.493655|1.466534|2.875997|1.590955|1.969808|1.978596|0.037856|1.602720|2.224410|1.831208|2.783234|1.978828|2.943133|2.568908|2.919381|3.702477|4.026058|9.499067|8.024937|14.397772|8.000531|6.905096|8.002599|14.447555|53.358707| |3.222649|1.908924|1.879852|1.951375|3.090394|2.307375|2.771942|2.644899|5.542271|2.884826|3.291867|3.159654|0.057638|2.627589|3.418660|2.859222|4.865447|3.891953|7.087016|7.909167|6.900374|8.020539|13.671918|14.473435|5.239048|4.049033|3.974984|3.104819|2.671445|2.731974|4.392247|36.858105| |3.518314|2.046961|1.989889|2.013200|3.171878|2.283005|2.667410|2.442459|4.879952|2.480902|2.894586|2.736092|0.050565|2.202227|2.841571|2.298505|3.726359|2.991143|5.128402|4.766383|4.233793|4.777127|7.006432|11.674020|4.439698|3.909029|4.277613|3.390659|2.789114|2.715302|4.190485|10.954038|448.794386| |3.388041|2.044659|2.034961|2.158204|3.487526|2.669438|3.347760|3.234648|7.127275|3.641346|3.984815|3.768188|0.067297|3.181812|4.022529|3.370302|5.985819|5.172372|10.898295|13.680069|7.982502|6.940556|7.900345|9.379246|3.979043|3.181124|3.092691|2.536967|2.246017|2.307441|3.637645|13.848789|56.896252|36.858105| |3.034135|1.899191|1.972872|2.245838|3.563610|3.098097|3.976306|5.147062|13.968522|13.347533|11.548711|11.891240|0.167932|13.742177|10.727888|7.259161|11.056082|13.534207|10.887291|5.083372|4.235204|3.246608|2.908932|4.290983|2.194769|1.882089|1.794107|1.587404|1.489028|1.551059|2.354697|3.157869|20.801523|4.035397|36.858105| |8.993138|7.574868|6.608503|7.935221|17.828098|7.856722|6.156825|4.245560|6.336424|2.883701|3.615116|3.055583|0.057604|2.166688|2.580795|1.863317|2.745671|2.341162|3.501014|2.381703|2.042095|1.904591|2.000187|3.260723|1.625335|1.515267|1.560796|1.435373|1.311468|1.293241|1.873822|2.321607|19.402053|2.586087|2.475216|36.858105| |13.919855|12.497025|7.664528|6.619505|10.555372|5.054430|4.330819|3.245024|5.106563|2.401140|3.022047|2.623875|0.049853|1.884075|2.287078|1.668467|2.459872|2.059896|3.095518|2.170630|1.888807|1.798484|1.917960|3.183424|1.586784|1.500163|1.565207|1.451295|1.320011|1.289071|1.853159|2.219749|19.238785|2.398579|2.129542|12.478978|36.858105| |35.749678|9.819022|5.951045|4.298624|5.484828|3.105115|2.740208|2.264337|3.671312|1.809407|2.327474|2.080950|0.040186|1.498315|1.859751|1.360447|1.980924|1.613442|2.384757|1.709294|1.533884|1.491166|1.593675|2.715255|1.376069|1.329305|1.400159|1.324827|1.211197|1.171290|1.658729|1.795565|15.819349|1.873128|1.650188|4.705163|7.265430|0.500000| |16.536484|17.458778|8.918174|6.856142|7.808743|4.201935|3.362315|2.734556|4.232028|2.064891|2.691122|2.360058|0.045648|1.666902|2.039189|1.469717|2.123278|1.747730|2.549333|1.777792|1.581814|1.507965|1.583270|2.652496|1.348272|1.284242|1.332145|1.250411|1.151411|1.126814|1.608181|1.782650|15.155333|1.909229|1.832095|6.845690|8.892243|0.229990|0.500000| |12.873146|8.878784|17.553082|8.838748|7.635799|4.182582|3.274637|2.719074|4.159208|2.045717|2.697779|2.363628|0.045957|1.655866|2.023936|1.449837|2.080568|1.708842|2.468338|1.711198|1.522861|1.447592|1.514207|2.534623|1.291585|1.230090|1.273938|1.197380|1.104963|1.082351|1.543699|1.701407|14.402548|1.828377|1.806057|4.936978|5.552112|0.151533|0.216883|0.500000| |13.250005|8.947766|17.555587|8.871216|9.483700|4.718514|3.850009|3.038293|4.700495|2.257880|2.906288|2.530506|0.048577|1.794728|2.183581|1.578226|2.296129|1.906017|2.805775|1.953904|1.713918|1.629860|1.724500|2.873308|1.445354|1.371775|1.428409|1.333202|1.219488|1.191303|1.705727|1.972925|16.965011|2.129469|1.994638|5.784387|6.907901|0.153587|0.174988|0.301914|0.500000| |8.282870|6.783317|8.826966|17.375323|12.255951|7.008400|4.531823|3.681764|5.248606|2.530998|3.374859|2.865706|0.055507|1.965014|2.351865|1.660268|2.373293|1.981056|2.833026|1.908049|1.678642|1.564565|1.612719|2.654622|1.351827|1.269329|1.298568|1.209030|1.119344|1.107338|1.593159|1.816153|14.910419|2.002143|2.152453|7.052231|5.752361|0.112745|0.201012|0.215269|0.173466|0.500000| |7.533962|5.535205|8.893211|17.579098|12.515830|7.367362|4.899844|3.957993|5.610044|2.685147|3.563444|3.007688|0.058008|2.062708|2.457846|1.734583|2.485022|2.084520|2.985009|2.001939|1.748265|1.624479|1.677013|2.750088|1.394888|1.306442|1.337104|1.241459|1.146856|1.134585|1.635388|1.900473|15.608017|2.108344|2.270864|5.721605|4.946419|0.099909|0.140531|0.212704|0.216545|0.302203|0.500000| |5.679071|4.158742|4.513650|6.770565|12.259126|17.393471|8.807203|6.866150|8.350952|3.775685|4.980457|3.955148|0.074682|2.654246|3.050813|2.122205|3.049979|2.638205|3.748895|2.408036|2.065548|1.867757|1.892630|3.035786|1.536276|1.412910|1.425654|1.307765|1.211059|1.211546|1.766141|2.150874|16.951323|2.469506|2.988437|7.206981|4.641562|0.082566|0.116123|0.107677|0.112065|0.197169|0.169151|0.500000| |5.617903|3.986269|4.872357|7.673830|12.605425|17.558213|8.932522|7.097452|8.469805|3.831942|5.079060|4.014171|0.075837|2.682771|3.077004|2.135369|3.063742|2.651582|3.756552|2.408814|2.057793|1.860620|1.889696|3.030422|1.530824|1.408707|1.423812|1.306181|1.208182|1.207238|1.759116|2.155746|17.055318|2.480785|3.016217|5.724211|4.222569|0.079271|0.105109|0.116605|0.128472|0.187320|0.241884|0.303075|0.500000| |5.289158|3.561978|3.922237|4.871078|9.692514|8.890736|17.563614|8.898348|12.932208|4.909350|5.614297|4.432120|0.079680|3.162144|3.575145|2.568712|3.881840|3.545305|5.421389|3.402715|2.730857|2.424636|2.499065|3.892612|1.909200|1.724661|1.744999|1.569261|1.431802|1.432039|2.114083|2.993960|23.418995|3.640043|3.888437|5.573925|4.280170|0.076553|0.089558|0.091282|0.113560|0.115115|0.134793|0.173483|0.212447|0.500000| |5.227733|3.593206|3.647386|4.518004|9.211148|8.770014|17.569121|8.972257|13.230432|4.977815|5.657737|4.464376|0.080089|3.192086|3.604828|2.592588|3.926049|3.595955|5.515191|3.446543|2.780095|2.458713|2.516794|3.912333|1.925079|1.734321|1.747423|1.570143|1.435937|1.440234|2.129537|2.990811|23.089911|3.632832|3.941262|6.616558|4.563011|0.077871|0.093996|0.085311|0.099586|0.115321|0.115457|0.211072|0.173813|0.302684|0.500000| |4.098420|2.744510|2.915585|3.705550|6.228954|6.860429|8.788271|17.592186|16.546569|7.259282|9.670491|6.483620|0.115538|4.109354|4.355258|2.917620|4.160437|3.780716|5.086508|3.005460|2.531237|2.189288|2.143048|3.342796|1.696632|1.525184|1.508823|1.367084|1.272973|1.292206|1.908914|2.416041|17.915053|2.899138|4.778907|4.074683|3.092679|0.060915|0.075041|0.072528|0.078067|0.101642|0.102645|0.204215|0.175174|0.173279|0.211713|0.500000| |4.108595|2.714315|3.026995|3.850016|6.311302|6.809421|8.790428|17.594822|16.544899|7.255264|9.658376|6.478864|0.115491|4.108086|4.354872|2.917854|4.160977|3.781549|5.089143|3.011574|2.519329|2.183691|2.148807|3.352651|1.696289|1.526812|1.514742|1.372469|1.275502|1.292189|1.907477|2.437811|18.184401|2.932964|4.777943|3.769037|2.986901|0.060035|0.072249|0.075493|0.083746|0.100303|0.114051|0.166929|0.209847|0.212569|0.174103|0.302030|0.500000| |2.306985|1.399444|1.433775|1.566334|2.372583|1.935227|2.253676|2.575638|5.544917|3.757084|4.799913|5.902799|0.110288|6.009665|12.819461|17.717862|12.751642|5.911992|5.938041|3.882383|4.198828|3.348420|2.752864|4.184909|2.294990|1.944490|1.778796|1.581953|1.527838|1.641227|2.518974|2.664557|17.312299|3.032225|5.150284|1.691387|1.531822|0.035248|0.037768|0.037267|0.040377|0.042172|0.043923|0.052672|0.052957|0.062564|0.063078|0.069703|0.069712|0.500000| |3.515193|2.196079|2.238975|2.499662|4.148556|3.444960|4.761783|5.123103|14.068525|6.883396|6.405949|5.720901|0.095787|4.960046|5.596432|4.475533|8.139123|9.637201|26.021344|9.344440|5.741590|4.293809|4.073448|5.666309|2.719443|2.287865|2.213766|1.911742|1.748388|1.801898|2.764863|4.956681|30.770843|7.707429|7.717937|2.963317|2.568877|0.053292|0.057587|0.055623|0.063993|0.064791|0.068596|0.088488|0.088730|0.138941|0.141704|0.122235|0.122517|0.102184|0.500000| |2.599814|1.564602|1.571205|1.683980|2.613645|2.065079|2.474460|2.629404|5.805782|3.458822|3.983391|4.186269|0.075488|3.871883|5.572660|5.532620|11.199147|6.608175|9.444196|8.933670|17.840213|8.947785|5.635296|7.453195|3.919753|2.991214|2.646567|2.227710|2.098939|2.283453|3.687853|4.975959|27.469238|5.667404|4.461835|1.914312|1.761468|0.040026|0.041649|0.040232|0.044774|0.044639|0.046366|0.055156|0.054852|0.070617|0.072175|0.068963|0.068291|0.147202|0.142630|0.500000| |2.469094|1.458157|1.446582|1.513136|2.319553|1.773614|2.062171|2.095055|4.374350|2.483358|2.955309|3.024698|0.056218|2.602929|3.677888|3.281920|5.495670|3.697719|5.648310|5.670711|9.004152|17.767555|8.925155|12.549756|7.472559|4.710881|3.779573|3.008537|2.833159|3.212258|5.617844|5.675566|31.521294|4.991313|2.905363|1.724882|1.636458|0.038311|0.038682|0.037187|0.041470|0.040028|0.041408|0.047270|0.047023|0.059490|0.060419|0.055095|0.054817|0.091623|0.098353|0.218629|0.500000| |2.391880|1.392393|1.361469|1.398913|2.124009|1.587944|1.802210|1.782625|3.589733|1.989988|2.413223|2.428219|0.045803|2.011169|2.791716|2.361942|3.733256|2.637611|4.027562|3.746196|4.603642|6.769279|7.084644|16.512311|17.564257|8.962099|5.875811|4.344176|4.090918|4.897755|9.836275|4.773422|31.684084|3.805864|2.216006|1.606523|1.559227|0.037466|0.036969|0.035119|0.039025|0.037096|0.037970|0.042495|0.041904|0.051851|0.053165|0.047278|0.046635|0.065784|0.075068|0.114018|0.226894|0.500000| |2.355411|1.367448|1.353051|1.388831|2.099065|1.570208|1.782786|1.770502|3.570551|1.988426|2.414615|2.438930|0.046039|2.025468|2.825778|2.400916|3.790589|2.654523|4.026887|3.749794|4.607165|6.778854|7.092023|16.513864|17.563271|8.961545|5.887145|4.348824|4.091064|4.891718|9.808905|4.776736|31.693144|3.809728|2.224045|1.562989|1.519760|0.036646|0.036113|0.034973|0.039081|0.036612|0.038029|0.041645|0.041862|0.051990|0.051763|0.046452|0.046920|0.067215|0.074685|0.114124|0.227185|0.301271|0.500000| |2.680093|1.525141|1.479378|1.479139|2.233371|1.613859|1.801030|1.711042|3.341693|1.785482|2.171357|2.121854|0.040148|1.703042|2.287864|1.859240|2.892512|2.162386|3.382077|3.018157|3.154673|3.954250|5.253689|14.118900|6.864286|8.911456|17.784088|8.862425|5.650698|5.043499|7.764506|4.685190|43.999685|3.501805|1.897113|1.699090|1.709866|0.042140|0.039877|0.038065|0.043085|0.038717|0.039967|0.042536|0.042542|0.052966|0.052884|0.044767|0.045044|0.050504|0.066917|0.076273|0.105648|0.150133|0.150562|0.500000| |2.390539|1.340406|1.296335|1.280917|1.896165|1.359693|1.480513|1.408997|2.693534|1.449206|1.798176|1.763248|0.033782|1.394330|1.882654|1.505519|2.275807|1.687745|2.553893|2.166159|2.253406|2.657372|3.138134|7.091688|4.073051|5.675704|8.911319|17.713540|8.901200|5.677080|6.762468|2.911397|26.610880|2.407217|1.520690|1.443408|1.473370|0.037785|0.035258|0.033751|0.037635|0.033753|0.034647|0.036097|0.036094|0.043177|0.043088|0.037235|0.037442|0.041284|0.050973|0.056918|0.073730|0.099785|0.099914|0.212838|0.500000| |2.042769|1.150358|1.118565|1.113122|1.634851|1.185144|1.283983|1.242362|2.374730|1.299061|1.629856|1.619108|0.031252|1.281712|1.755980|1.405886|2.092809|1.520647|2.246148|1.879162|2.007481|2.349014|2.600179|5.655365|3.602339|5.033939|5.645237|8.860225|17.736244|8.899219|7.761523|2.335393|19.714118|2.001806|1.374233|1.237616|1.250769|0.032244|0.030539|0.029341|0.032235|0.029569|0.030247|0.031721|0.031651|0.037091|0.037176|0.033108|0.033178|0.039128|0.044308|0.052155|0.067968|0.092866|0.092867|0.123584|0.212273|0.500000| |1.942717|1.106270|1.082108|1.090219|1.607074|1.181336|1.290359|1.268094|2.452124|1.360898|1.708315|1.719172|0.033200|1.376082|1.914103|1.552371|2.306754|1.639694|2.393083|2.016911|2.237099|2.665578|2.815510|6.077848|4.320582|5.906117|5.036673|5.677749|8.895340|17.703098|12.734070|2.407897|18.996299|2.080404|1.464164|1.210382|1.204503|0.030548|0.029493|0.028375|0.031049|0.029057|0.029726|0.031737|0.031607|0.037095|0.037343|0.033898|0.033861|0.043815|0.046364|0.059111|0.080992|0.116120|0.115927|0.109060|0.124145|0.213718|0.500000| |3.779412|2.302481|2.297390|2.448194|4.050395|3.084107|3.986991|3.695289|8.106488|3.893746|4.202927|3.844616|0.068418|3.160766|3.876774|3.136068|5.385932|4.870623|10.045012|8.875115|5.657842|4.988137|5.647218|7.606094|3.330979|2.794696|2.792294|2.344947|2.072587|2.097255|3.235618|9.014803|54.789367|17.728053|4.072807|2.992963|2.751123|0.057722|0.059092|0.056606|0.067224|0.062288|0.066157|0.077701|0.078629|0.124213|0.121411|0.089702|0.091784|0.077485|0.236241|0.124171|0.108190|0.088480|0.088583|0.088264|0.062910|0.051895|0.052787|0.500000| |8.207341|6.789087|5.762765|7.073676|12.281126|6.972077|5.303736|3.982575|5.899359|2.754128|3.525555|2.992027|0.056901|2.100834|2.509183|1.798723|2.621956|2.215911|3.255713|2.206819|1.917861|1.787521|1.858419|3.040621|1.531309|1.430274|1.466295|1.354489|1.245487|1.231469|1.780649|2.122315|17.505371|2.351390|2.363364|17.369739|8.821224|0.122852|0.201271|0.129111|0.132940|0.209205|0.144063|0.212200|0.145893|0.127121|0.159120|0.112047|0.098309|0.045488|0.075533|0.050436|0.045322|0.042329|0.040920|0.044022|0.037771|0.032735|0.032146|0.074040|0.500000| |7.434375|5.531558|4.936149|5.712262|12.465357|7.262413|7.000299|4.634463|7.161413|3.172731|3.865985|3.256926|0.060641|2.341257|2.774993|2.020233|3.018806|2.608892|3.984464|2.705792|2.282547|2.116572|2.231393|3.598554|1.775893|1.641866|1.688434|1.539181|1.400288|1.383795|2.017300|2.629444|21.857079|2.971704|2.730605|17.611264|8.907621|0.111809|0.140593|0.108422|0.129349|0.143695|0.127913|0.184494|0.144965|0.173522|0.243002|0.122030|0.109172|0.050651|0.095302|0.058925|0.052745|0.048870|0.047197|0.051320|0.042847|0.036522|0.035845|0.097202|0.302538|0.500000| |12.890534|8.922269|6.904558|5.795555|9.504521|4.711892|4.308903|3.208515|5.168790|2.418340|3.005677|2.620297|0.049559|1.900513|2.312567|1.700034|2.527083|2.119968|3.229693|2.290560|1.980119|1.895846|2.046753|3.400631|1.679145|1.588932|1.669360|1.543125|1.393544|1.355338|1.949909|2.400657|21.287615|2.582076|2.165280|8.866655|17.552941|0.182788|0.174629|0.140880|0.204515|0.132837|0.129776|0.114742|0.112264|0.125587|0.124870|0.082677|0.082639|0.043364|0.074667|0.050837|0.047653|0.045476|0.044641|0.051054|0.043658|0.036602|0.035031|0.083387|0.173353|0.216331|0.500000| 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