Version2.4 2021-05-26T16:45:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(cnn1c2ccc(nn2)[O-])C(=O)Nc3ccccc3C(=O)N4C[C@H](C[C@@H](C4)C)C C29419402 RHF 6-31G(d) (6D,7F) Cc1c(cnn1c2ccc(nn2)[O-])C(=O)Nc3ccccc3C(=O)N4C[C@H](C[C@@H](C4)C)C C01[X(C23H25N6O3)] 165 C1 530 C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1cnn(c1C)c1ccc(nn1)[O-] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1cnn(c1C)c1ccc(nn1)[O-] C[C@H]1C[C@H](C)CN(C1)C(=O)c2ccccc2NC(=O)c3cnn(c3C)c4ccc([O-])nn4 InChIKey=RHZXPWFNAVPINN-GJZGRUSLSA-M InChI=1S/C23H26N6O3/c1-14-10-15(2)13-28(12-14)23(32)17-6-4-5-7-19(17)25-22(31)18-11-24-29(16(18)3)20-8-9-21(30)27-26-20/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,31)(H,27,30)/p-1/t14-,15-/m0/s1 InChI=1/C23H26N6O3/c1-14-10-15(2)13-28(12-14)23(32)17-6-4-5-7-19(17)25-22(31)18-11-24-29(16(18)3)20-8-9-21(30)27-26-20/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,31)(H,27,30)/p-1/t14-,15-/m0/s1/fC23H25N6O3/h25H/q-1 Cc1c(cnn1c2ccc(nn2)[O-])C(=O)Nc3ccccc3C(=O)N4C[C@H](C[C@@H](C4)C)C C01[X(C23H25N6O3)] 165 C01 530 C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1cnn(c1C)c1ccc(nn1)[O-] C[C@H]1C[C@H](C)CN(C1)C(=O)[C]1[CH][CH][CH][CH][C]1NC(=O)[C]1[CH][N][N@]([C]1C)[C]1[CH]=[CH][C]([N][N]1)[O] C[C]1[C]([CH][N]N1[C]2[N][N][C]([O])C=C2)C(=O)N[C]3[CH][CH][CH][CH][C]3C(=O)N4C[C@@H](C)C[C@H](C)C4 InChIKey=SIFGBAWOAVOQLZ-GJZGRUSLSA-N InChI=1S/C23H25N6O3/c1-14-10-15(2)13-28(12-14)23(32)17-6-4-5-7-19(17)25-22(31)18-11-24-29(16(18)3)20-8-9-21(30)27-26-20/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,31)/t14-,15-/m0/s1 InChI=1/C23H25N6O3/c1-14-10-15(2)13-28(12-14)23(32)17-6-4-5-7-19(17)25-22(31)18-11-24-29(16(18)3)20-8-9-21(30)27-26-20/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,31)/t14-,15-/m0/s1/f/h25H 3128.5771021255 -1436.829424 1-A 18749.6608 115 415 530 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1596.9210 1617.5299 1625.0688 1633.7179 1636.6665 1640.0479 1642.6239 1643.5029 1646.6228 1646.6905 1648.4266 1660.3411 1664.5482 1696.2942 1712.3731 1737.0252 1774.5092 1780.6217 1808.0263 1833.8116 1882.0417 1922.9501 3166.0885 3176.5517 3180.6942 3192.8226 3197.8932 3212.2235 3212.7614 3228.3817 3243.8574 3253.9661 3264.3288 3270.7809 3291.8472 3303.7465 3349.2259 3351.3704 3354.0489 3355.7931 3362.0271 3365.2731 3383.2527 3384.9577 3408.1866 3457.5480 3892.5518 5.2838 4.8667 7.0154 3.8920 5.9516 5.4702 4.9374 5.2788 4.6387 6.2811 8.8734 2.8538 1.2129 5.1787 2.5407 5.7019 5.2747 5.2080 2.3558 1.0638 1.3941 4.2041 3.2788 4.5647 3.8217 5.2117 3.7535 3.1540 4.1292 3.2119 4.4087 3.4965 4.5112 3.7706 3.5691 5.4248 1.9434 3.1997 7.8780 6.6553 3.6780 5.0965 3.9388 3.2405 1.3516 5.1942 7.2184 5.4085 5.4338 3.7734 3.5015 5.7790 6.8859 4.7250 4.6475 3.9793 3.1266 1.7443 4.1650 3.7570 5.2180 7.6961 2.1719 2.1140 1.4691 4.2902 2.2612 1.3775 1.6775 1.6580 1.9935 3.4311 1.8650 1.9207 1.3776 2.5704 1.6123 1.7507 1.3154 1.3743 2.2834 2.4006 3.2297 1.7444 2.6331 2.4847 1.8853 2.1650 2.4240 1.6500 1.7757 2.7396 1.8659 1.7241 1.7934 2.3797 1.6647 2.8337 2.0695 2.1712 2.1127 2.4730 1.3590 1.9138 1.4545 7.7519 1.3319 1.4377 2.5745 1.4716 1.4093 1.4212 2.5102 1.3672 1.3740 1.5392 1.2969 2.6085 2.2444 2.2647 1.2822 1.0834 1.1179 1.3500 1.0968 1.1867 1.0574 1.2870 1.3672 1.2825 4.1955 5.8692 2.3254 4.9278 7.0545 4.1575 5.2274 8.8016 8.9505 8.0749 1.0714 1.0741 1.0778 1.0464 1.0715 1.0801 1.0495 1.0930 1.0382 1.1003 1.1025 1.1012 1.1011 1.1019 1.0907 1.0916 1.0870 1.1023 1.0882 1.0924 1.0978 1.0992 1.0974 1.0939 1.0780 0.0002 0.0007 0.0024 0.0019 0.0072 0.0101 0.0109 0.0147 0.0172 0.0290 0.0489 0.0319 0.0140 0.0709 0.0404 0.1162 0.1132 0.1326 0.0756 0.0362 0.0510 0.1683 0.1644 0.2383 0.2290 0.3202 0.2421 0.2335 0.3737 0.3050 0.4425 0.3597 0.5061 0.4566 0.4543 0.7333 0.2797 0.4874 1.2279 1.1373 0.6984 1.0266 0.8928 0.7527 0.3222 1.3483 2.0115 1.5853 1.6070 1.1574 1.0956 1.9579 2.3856 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2.8312 1.0852 5.3241 7.3833 11.3995 1.1725 1.3975 5.9687 10.9608 1.0181 6.2495 5.4750 2.2705 8.3762 66.6398 11.3089 6.7660 22.1361 45.6345 10.3036 37.2858 21.6885 7.9112 5.5612 12.5640 1.3650 1.8692 33.3629 95.7918 1.3491 39.5505 15.7912 6.0030 58.3575 7.5666 43.3320 0.8747 9.2097 9.1411 12.0476 1.0094 71.2863 3.1837 12.3177 3.2807 25.8353 5.4094 1.2727 0.7223 5.2503 74.0494 3.8941 54.1839 19.1766 65.9937 11.2285 151.9810 37.1900 119.0378 20.1332 18.9839 5.2023 14.1197 1.3198 4.4465 33.0380 22.6925 9.5209 38.7484 158.7712 362.7983 137.8641 25.5191 291.4334 21.8576 74.8890 11.6784 1.6526 20.1538 24.0819 0.6579 2.1567 31.3529 11.8672 0.0778 17.0882 3.1711 225.3951 359.2934 119.3817 13.7851 4.5524 3.3929 23.1509 2.6046 3.3038 7.8937 27.3930 18.3312 57.4919 18.4777 70.8408 437.3319 415.2207 153.9413 205.3468 71.6949 1035.9963 368.0048 316.0330 13.4241 5.7177 30.3008 46.1731 156.1596 40.9358 13.6271 44.7999 10.6792 64.5592 42.0451 40.7464 43.3732 8.1824 18.3633 5.0968 0.3354 7.3871 27.4388 28.3364 44.9904 29.1026 15.7130 0.7469 68.3027 2.3290 1.5094 0.4957 0.6246 3.8897 2.0500 2.8209 0.9401 2.2466 4.8711 0.4977 2.5219 0.4159 1.0312 0.1883 1.3552 0.9060 2.1779 0.5507 0.2455 0.5717 1.7496 1.3845 4.0533 1.5864 0.9774 1.1907 0.7351 2.6766 2.6857 2.8378 2.0336 1.5337 1.2827 1.8555 2.1533 0.8290 3.6341 1.7256 5.5222 4.7217 2.9072 1.0569 5.1597 10.7450 2.3196 6.8429 1.9328 3.2810 5.4096 0.6227 5.3632 7.6545 1.5907 9.9154 1.4251 4.4355 4.2905 0.8173 9.0520 5.9191 15.1036 3.0526 3.3903 2.6161 6.9343 4.7794 1.8304 4.0515 2.4458 5.1495 3.8582 2.0780 9.7961 0.5450 1.8033 2.7903 3.9459 0.6553 2.4333 5.5151 30.6287 8.6088 3.0718 3.9458 7.6664 53.3468 31.1172 140.8073 26.0196 9.1105 13.6273 3.9125 5.3001 4.6993 6.8288 7.1445 47.7291 16.0897 3.5583 91.8579 60.2275 6.3882 36.8839 3.0098 4.8595 6.5887 5.1212 11.5064 4.3403 2.8694 3.5602 123.5836 3.1908 1.1207 68.0401 1.6006 88.3014 17.0634 7.5553 128.2776 17.6952 11.5722 46.0952 8.9342 30.3840 1.5525 26.7446 23.8130 9.9031 30.0664 30.9153 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15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 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 7722.9362 27968.7624 32298.3708 0.99994 0.00946 -0.00460 -0.00947 0.99995 -0.00204 0.00458 0.00208 0.99999 1 0.01122 0.00310 0.00268 0.23369 0.06453 0.05588 11.74 23.05 34.63 41.70 64.99 80.72 88.13 98.89 114.06 127.32 139.21 198.10 201.22 219.38 236.46 267.59 274.58 299.04 335.75 345.71 358.50 375.08 419.77 428.32 458.82 464.58 476.08 510.01 563.90 577.62 593.84 601.18 627.81 652.27 668.78 689.14 711.08 731.54 740.01 774.86 816.78 841.26 892.42 903.38 915.20 955.01 989.49 1014.82 1019.36 1038.11 1048.49 1091.04 1103.29 1161.44 1172.87 1202.87 1212.41 1221.98 1240.84 1268.92 1305.92 1308.20 1322.85 1351.74 1370.12 1392.32 1409.47 1431.86 1437.41 1440.87 1478.70 1502.11 1522.99 1538.87 1559.63 1580.78 1583.83 1603.23 1607.37 1632.21 1639.88 1649.79 1684.89 1694.01 1711.07 1735.82 1757.61 1758.04 1779.66 1786.68 1808.73 1827.77 1828.92 1861.52 1877.73 1894.71 1907.51 1956.42 1978.42 1993.36 2037.62 2041.60 2053.88 2071.99 2080.76 2105.83 2114.27 2143.46 2166.83 2173.18 2197.75 2220.75 2233.48 2247.66 2251.21 2259.33 2267.01 2293.30 2297.61 2327.26 2338.11 2350.56 2354.80 2359.66 2363.37 2364.63 2369.12 2369.22 2371.72 2388.86 2394.91 2440.59 2463.72 2499.19 2553.12 2561.92 2601.35 2638.45 2707.84 2766.70 4555.30 4570.35 4576.31 4593.76 4601.06 4621.67 4622.45 4644.92 4667.19 4681.73 4696.64 4705.92 4736.23 4753.35 4818.79 4821.87 4825.73 4828.24 4837.21 4841.88 4867.75 4870.20 4903.62 4974.64 5600.51 0.496094 0.523049 0.523993 0.434455 -1436.333330 -1436.306375 -1436.305431 -1436.394969 3.003119D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1c(cnn1c2ccc(nn2)[O-])C(=O)Nc3ccccc3C(=O)N4C[C@H](C[C@@H](C4)C)C C29419402 RHF 6-31G(d) (6D,10F) C1 433.198814 |X|Y|Z| 59.170996 33.530315 118.842342 61.778768 26 6 7 20 6 |36.858105| |12.726756|36.858105| |7.261226|13.696780|36.858105| |5.162976|8.622782|13.447960|36.858105| |5.213189|8.546130|8.497560|14.736775|53.358707| |7.649497|14.286903|8.739957|9.053300|19.262962|53.358707| |6.264084|7.658797|5.314593|5.511646|10.829565|18.127287|36.858105| |4.501889|5.249235|4.176953|4.591260|8.791406|10.522320|13.509395|36.858105| |3.747449|4.009113|3.279501|3.489060|6.118544|7.080977|8.134758|14.153983|36.858105| |3.774763|3.781317|3.044560|3.108222|5.222633|6.273078|7.042010|7.837892|13.080219|36.858105| |4.655715|4.488925|3.450882|3.400667|5.662403|7.286123|8.339936|6.889489|7.889689|13.918582|53.358707| |6.310489|6.407853|4.509966|4.374314|7.563215|11.150031|14.719351|8.030341|7.039459|8.206665|19.864570|53.358707| |3.109285|3.056223|2.548810|2.591869|4.201568|4.838483|4.845600|5.376134|8.145810|15.533976|11.446615|7.533192|73.516695| |5.869206|7.454413|13.007103|7.319124|7.082640|7.191491|3.833903|3.188205|2.644024|2.511118|3.836121|4.737191|3.854421|36.858105| |6.166459|6.390436|8.063501|5.163356|5.640914|6.114069|3.485804|2.901867|2.473590|2.405193|3.710213|4.499422|3.732341|15.798904|73.516695| |4.145688|5.125044|7.979088|6.500161|6.182188|5.725089|3.200195|2.790806|2.345655|2.204949|3.285828|3.934775|3.435100|13.828928|15.008072|53.358707| |3.348593|3.806636|5.097854|4.415613|4.641241|4.392627|2.602978|2.322981|2.006694|1.906772|2.817217|3.279622|3.022565|7.667347|11.866826|18.557279|36.858105| |3.207189|3.430151|4.273417|3.600477|3.983258|3.917449|2.385898|2.114992|1.859929|1.801412|2.685175|3.092762|2.879489|6.266419|11.772168|10.595461|13.649789|36.858105| |2.625839|2.751101|3.271055|2.885478|3.305483|3.244470|2.035114|1.837744|1.641010|1.594169|2.351869|2.657409|2.578611|4.325307|8.120995|7.007497|7.910763|13.799444|36.858105| |2.317817|2.464092|2.922240|2.685454|3.095591|2.982391|1.885919|1.733651|1.551435|1.493633|2.174992|2.438584|2.425999|3.679797|6.563155|6.175805|6.797182|7.902912|13.734193|36.858105| |2.370778|2.593171|3.149061|2.974461|3.372652|3.175314|1.986937|1.841881|1.632870|1.551494|2.242690|2.526246|2.508873|3.914411|6.592716|7.040142|7.882911|6.889274|8.001150|13.807901|36.858105| |2.774215|3.141457|4.018967|3.787022|4.110009|3.802635|2.311782|2.124320|1.850214|1.741785|2.527190|2.892778|2.785099|5.188306|8.151548|10.759094|13.602477|7.921035|6.890115|7.898636|13.701764|36.858105| |2.666366|3.113406|3.983001|4.069775|4.409312|3.919493|2.381648|2.236197|1.931194|1.784487|2.551155|2.915934|2.847164|4.636684|6.930058|9.152539|7.565435|5.027048|4.462726|5.036831|7.605583|12.660058|36.858105| |2.705583|3.261023|4.238480|4.665413|4.956520|4.220851|2.539605|2.386006|2.043184|1.875558|2.678596|3.078814|2.978173|4.627670|6.645390|9.044308|6.386883|4.421444|3.838158|4.123101|5.560480|8.103570|15.739637|73.516695| |2.418526|2.760674|3.366812|3.444973|3.911444|3.527088|2.196818|2.108368|1.837798|1.688345|2.382008|2.686443|2.712962|3.772621|5.888920|6.612791|5.313630|3.998577|3.753945|4.345412|6.236405|7.742872|14.047223|15.089196|53.358707| |2.216417|2.544154|3.018298|3.236838|3.801251|3.366657|2.134124|2.097731|1.834847|1.665565|2.315489|2.587739|2.686142|3.176582|4.952942|5.255887|3.920270|3.111077|2.933160|3.299309|4.318022|5.005735|7.843614|12.450506|17.775908|36.858105| |2.302316|2.641672|3.057735|3.299954|3.983340|3.544996|2.267431|2.275555|1.981240|1.770600|2.431671|2.710240|2.849933|3.102250|4.858897|4.846887|3.434959|2.786834|2.583955|2.794675|3.450354|4.016919|5.544845|9.254136|10.439992|12.425103|36.858105| |2.082006|2.370270|2.682077|2.930098|3.641022|3.239372|2.115031|2.155977|1.899210|1.692871|2.301856|2.537050|2.744358|2.672612|4.232495|4.091312|2.901463|2.419757|2.272226|2.454408|2.961062|3.333430|4.391559|7.672334|7.668342|8.982818|17.498178|0.500000| |2.248594|2.497095|2.827860|2.902551|3.543405|3.279948|2.123739|2.123797|1.871355|1.689014|2.322838|2.571008|2.734789|2.945083|4.783453|4.472202|3.273592|2.741594|2.586767|2.803421|3.385780|3.786584|4.707951|7.304474|8.995016|7.614757|12.391461|0.247528|36.858105| |2.456683|2.693737|3.102575|3.037783|3.614099|3.413444|2.175851|2.122526|1.864611|1.705780|2.382252|2.659181|2.752406|3.406830|5.628521|5.240979|3.997564|3.323023|3.133069|3.409218|4.165459|4.691131|5.462578|7.750000|10.490535|6.522556|7.441116|0.152641|12.419447|36.858105| |2.850054|3.156443|3.682866|3.532359|4.138701|3.933599|2.461566|2.379677|2.060983|1.877085|2.635870|2.977790|3.000455|4.064642|6.632584|6.141265|4.475466|3.632840|3.281301|3.428605|4.123108|4.943914|5.635075|8.148213|9.493728|5.744428|6.726782|0.137907|8.871988|17.531132|0.500000| |2.348530|2.591016|3.062863|3.001529|3.492660|3.261281|2.062229|1.982473|1.746093|1.614683|2.276272|2.547242|2.609157|3.492985|5.735873|5.750031|4.777330|3.870953|3.767671|4.393819|5.920895|6.437044|7.615367|9.451099|17.796841|7.799600|6.466530|0.136970|7.564294|12.420390|0.248866|36.858105| |2.251878|2.380031|2.646931|2.534863|3.093134|3.002100|1.957356|1.913243|1.710368|1.582326|2.206530|2.431750|2.578041|2.913165|5.034923|4.291384|3.334950|2.964160|2.888172|3.119967|3.576766|3.749190|3.959251|5.837529|6.799710|4.415641|4.869200|0.113688|7.519337|12.459800|0.248083|7.568136|36.858105| |2.699423|3.215536|3.764770|4.252925|5.106761|4.401432|2.753039|2.781864|2.354139|2.060590|2.824009|3.195877|3.266811|3.621325|5.476072|5.521578|3.616979|2.883856|2.572901|2.676904|3.230931|3.952006|5.339813|9.725264|8.282714|7.477017|12.435316|0.248487|7.445176|5.923164|0.180615|5.062432|4.132220|36.858105| |17.600153|8.950567|5.629430|4.477289|6.526259|9.594218|6.757048|5.021050|4.244125|4.285167|7.104635|9.293623|6.199169|4.612137|8.464156|4.766983|2.908436|2.774273|2.333813|2.098449|2.155862|2.490805|2.437965|4.385305|3.079623|2.107720|2.230123|0.056511|2.196979|2.367765|0.076035|2.218934|2.196212|2.619674|0.500000| |17.601330|8.949714|5.917638|4.513978|6.314930|8.867571|5.850396|4.158629|3.611683|3.838040|6.818391|9.192446|5.669267|5.012483|9.507068|5.043480|3.072142|3.021863|2.504316|2.197208|2.217043|2.552400|2.432068|4.420427|2.989046|2.020941|2.071092|0.052537|2.013712|2.184949|0.069062|2.123139|2.017417|2.389163|0.304169|0.500000| |17.672566|8.992857|6.851844|4.676467|5.988690|7.771507|4.691898|3.676285|3.136002|3.134291|5.046327|6.331534|4.746612|6.580570|14.118176|6.094213|3.692635|3.619061|2.924674|2.535435|2.563108|2.994546|2.799523|4.926271|3.457450|2.279783|2.352960|0.058532|2.339385|2.622506|0.085212|2.511888|2.428033|2.713793|0.298300|0.300117|0.500000| |4.032580|5.837575|8.451948|17.756252|12.691588|8.308227|4.332458|3.864500|3.052283|2.718779|3.956658|4.859166|4.123301|6.274405|8.013657|9.080126|4.627944|3.628951|2.947046|2.811613|3.201715|4.152747|4.730578|10.444407|5.283274|3.700784|3.669045|0.090207|3.090281|3.180300|0.100905|3.222572|2.590420|4.769419|0.099682|0.100934|0.105519|0.500000| |4.063513|4.934119|4.206259|4.875303|9.366035|9.610369|8.797672|17.717843|8.934948|5.552812|6.755041|7.779440|7.594043|3.215571|5.101181|3.923851|2.391685|2.139786|1.862388|1.776172|1.911450|2.219306|2.386972|4.556436|3.090080|2.293339|2.533389|0.066891|2.332983|2.292346|0.071550|2.118656|2.040034|3.179197|0.122794|0.101608|0.095772|0.116731|0.500000| |3.141357|3.344632|2.851634|3.061011|5.194905|5.664987|5.691432|8.965610|17.716693|8.767849|7.688686|6.859630|13.091871|2.357380|3.928964|2.903617|1.849818|1.713670|1.527541|1.456862|1.537080|1.729321|1.818452|3.413731|2.382516|1.767880|1.923021|0.051771|1.818417|1.789139|0.054461|1.667487|1.648593|2.269381|0.097776|0.083783|0.075394|0.076503|0.211079|0.500000| |3.807492|4.909864|7.645245|7.596518|6.830090|5.872117|3.262636|2.895301|2.409808|2.229928|3.281926|3.924860|3.466746|9.318005|10.837462|26.086206|9.411849|5.842534|4.331274|4.075462|4.864417|7.449719|7.761213|15.903443|7.231922|4.357510|3.962071|0.092528|3.466595|3.897794|0.125264|4.281051|3.094200|4.664904|0.091555|0.095043|0.109311|0.250434|0.084644|0.061163|0.500000| |3.598202|3.736700|4.553590|3.661570|4.099067|4.148679|2.524326|2.196478|1.935015|1.896810|2.868473|3.324534|3.023764|6.843324|14.636570|9.689984|8.938988|17.823071|8.931950|5.637552|4.968733|5.649515|4.100331|6.730574|4.587628|2.734090|2.521730|0.061514|2.485522|2.956571|0.090871|3.284771|2.685756|2.664076|0.084465|0.095590|0.115133|0.098876|0.060868|0.049123|0.147212|0.500000| |2.486098|2.539464|2.926095|2.575209|3.014562|3.002157|1.912429|1.725467|1.556283|1.526793|2.258900|2.531660|2.483836|3.755013|7.309071|5.680991|5.643662|8.981413|17.708237|8.910643|5.671289|4.960238|3.564475|5.629144|4.231021|2.520967|2.263002|0.056075|2.283491|2.720215|0.078775|3.164443|2.580665|2.257816|0.061631|0.066857|0.077062|0.072076|0.048184|0.040267|0.099285|0.216502|0.500000| |2.062999|2.166998|2.509677|2.333668|2.744584|2.654788|1.705166|1.579497|1.426883|1.378497|1.998524|2.218303|2.254381|3.054528|5.499753|4.917267|4.912871|5.627221|8.876141|17.720254|8.918522|5.626097|4.105850|6.156610|5.098739|2.965526|2.529352|0.062780|2.564483|3.059254|0.083621|3.876053|2.891700|2.387717|0.052443|0.054738|0.062304|0.067669|0.044879|0.037408|0.092384|0.123955|0.213869|0.500000| |2.129787|2.327513|2.774631|2.691584|3.108055|2.906733|1.842893|1.732037|1.544281|1.461766|2.093809|2.338294|2.375781|3.297553|5.528236|5.714729|5.627869|4.959715|5.668921|8.937222|17.707294|8.941774|7.098969|9.346238|9.051908|4.690513|3.587754|0.086538|3.522711|4.222759|0.110262|6.330292|3.636380|3.205236|0.054536|0.055429|0.063238|0.081210|0.050210|0.040683|0.114869|0.107779|0.124368|0.214950|0.500000| |1.978304|2.227015|2.585887|2.734608|3.279566|2.950211|1.903035|1.878339|1.666120|1.522996|2.111068|2.334615|2.477012|2.732547|4.368826|4.424827|3.398025|2.811200|2.738612|3.145698|4.045133|4.325804|6.000959|9.477300|12.561036|17.499849|8.853827|0.222594|6.891112|5.793741|0.133803|7.109837|4.285625|5.489407|0.052538|0.050563|0.056629|0.085213|0.056622|0.044853|0.098923|0.068788|0.066230|0.080804|0.128357|0.500000| |2.208796|2.574960|3.077916|3.418182|4.001316|3.460087|2.186554|2.149260|1.874258|1.697748|2.360392|2.643571|2.733079|3.173015|4.863575|5.301289|3.850848|3.042148|2.838898|3.153743|4.078781|4.803479|7.672603|14.830823|12.528366|17.689926|8.776677|0.210328|5.517958|4.882275|0.128248|5.680910|3.562907|6.974755|0.058071|0.056378|0.062331|0.112527|0.065419|0.050119|0.126960|0.074805|0.067989|0.078659|0.121162|0.301720|0.500000| |1.998533|2.190722|2.453352|2.513734|3.102640|2.887365|1.895219|1.898956|1.695730|1.542174|2.116682|2.321041|2.517763|2.566405|4.230412|3.892790|2.919515|2.506341|2.426098|2.674937|3.201382|3.416013|4.131551|6.441017|7.843961|6.828010|8.849831|0.223270|17.471814|8.883167|0.174327|6.789489|7.024693|5.485860|0.054311|0.050328|0.057714|0.074369|0.057484|0.046012|0.083219|0.063047|0.060041|0.069404|0.095394|0.202809|0.139847|0.500000| |2.267794|2.497661|2.759457|2.829188|3.536193|3.310980|2.172470|2.203973|1.947386|1.744638|2.378152|2.618153|2.828302|2.807525|4.599666|4.110174|2.936223|2.505844|2.347453|2.486510|2.909171|3.249178|3.875318|6.247738|6.708917|5.519758|8.792739|0.209166|17.526722|8.819803|0.214864|5.504029|6.843184|6.980846|0.062527|0.056104|0.065194|0.081969|0.067720|0.052904|0.087796|0.064371|0.058369|0.063532|0.082521|0.140374|0.123208|0.303340|0.500000| |2.452356|2.666193|3.166530|2.994023|3.455238|3.281154|2.065445|1.956649|1.726433|1.613019|2.296111|2.577252|2.605365|3.778900|6.375454|6.261063|5.617795|4.641448|4.608289|5.471496|7.407145|7.663991|7.255730|8.872136|12.425187|5.659229|4.861789|0.108202|5.518766|8.849650|0.218226|17.694002|6.907224|4.227770|0.063680|0.061674|0.074178|0.087749|0.057384|0.045506|0.122809|0.106142|0.104859|0.129847|0.203626|0.144852|0.127596|0.139633|0.123657|0.500000| |2.071349|2.257731|2.613139|2.584690|3.070362|2.875844|1.849716|1.791680|1.596753|1.482456|2.079955|2.303396|2.414174|2.929220|4.887767|4.712802|3.924308|3.348464|3.399014|4.078711|5.309805|5.173754|5.889977|7.913473|12.489895|7.034269|5.692304|0.130622|6.784035|8.829267|0.174657|17.489327|6.992456|4.261736|0.054744|0.052633|0.061158|0.077026|0.053034|0.042635|0.097716|0.079816|0.081152|0.105009|0.172633|0.212887|0.144576|0.199148|0.139090|0.302878|0.500000| |2.257220|2.363705|2.571079|2.466191|3.065286|3.004317|1.982385|1.958393|1.757581|1.619222|2.241922|2.457291|2.643204|2.760558|4.793625|3.941355|2.964633|2.662448|2.560454|2.696070|3.021057|3.210601|3.403872|5.220027|5.604243|3.844825|4.498862|0.108475|6.865119|8.789354|0.213158|5.493698|17.550558|4.004579|0.062123|0.055900|0.067282|0.069090|0.058175|0.047288|0.079159|0.068541|0.064515|0.069723|0.084287|0.102802|0.088768|0.174563|0.204787|0.141271|0.141710|0.500000| |2.327580|2.419708|2.689843|2.509444|3.044494|2.996424|1.948199|1.879175|1.683394|1.573346|2.213657|2.444221|2.563528|3.044918|5.406387|4.447953|3.552701|3.247200|3.202327|3.428613|3.815407|3.916073|3.868174|5.643196|6.271294|3.861747|4.032294|0.095044|5.467977|8.762682|0.213979|6.895488|17.539415|3.606601|0.062602|0.057993|0.070920|0.070437|0.055023|0.044797|0.086543|0.081566|0.079729|0.088170|0.105059|0.103425|0.089400|0.142036|0.140334|0.206463|0.173346|0.301857|0.500000| |2.001334|2.111528|2.335813|2.266283|2.788005|2.692646|1.773370|1.741927|1.571150|1.458366|2.026729|2.216743|2.391454|2.552035|4.413030|3.787128|2.980321|2.689062|2.688326|2.970734|3.392156|3.413918|3.620047|5.393802|6.295651|4.254604|4.525473|0.110512|6.793071|8.765341|0.173567|6.833245|17.518037|3.670890|0.054262|0.050437|0.059445|0.064903|0.051497|0.042291|0.076556|0.067533|0.067332|0.078396|0.099293|0.121951|0.095335|0.208603|0.167086|0.168397|0.207652|0.301598|0.301127|0.500000| |3.117070|3.789281|4.634116|5.107767|5.796793|5.018911|3.024405|2.969767|2.472673|2.178013|3.032075|3.492480|3.419067|4.520449|6.630765|6.975955|4.376511|3.365728|2.912673|2.978302|3.612189|4.650100|6.236475|11.028933|8.989520|6.715332|8.701699|0.173247|6.649073|6.407122|0.222059|5.515763|4.358296|17.585292|0.082729|0.075285|0.088070|0.157117|0.093241|0.065100|0.164796|0.086143|0.070114|0.072304|0.096296|0.137118|0.172811|0.136113|0.171190|0.133120|0.121530|0.115655|0.109176|0.103572|0.500000| |2.675415|3.138157|3.511799|3.920683|4.958223|4.370934|2.805432|2.914255|2.474004|2.135165|2.883374|3.232957|3.390652|3.294261|5.097389|4.772407|3.123449|2.576851|2.312198|2.376402|2.784321|3.306830|4.147028|7.466159|6.333088|5.461782|8.793193|0.213886|6.822590|5.274177|0.162058|4.240881|3.972074|17.542274|0.073780|0.065446|0.074125|0.116370|0.094139|0.067006|0.108255|0.067348|0.057249|0.059576|0.076571|0.123334|0.141459|0.142705|0.209949|0.101242|0.102344|0.112722|0.095613|0.097780|0.302179|0.500000| 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