Version2.4 2021-06-01T14:01:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)[C@@H]2C3=C(c4ccccc4O[C@@H]3c5ccc(c(c5)Br)F)Nc6n2nnn6 C28055974 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)[C@@H]2C3=C(c4ccccc4O[C@@H]3c5ccc(c(c5)Br)F)Nc6n2nnn6 C01[X(C24H17Br1F1N5O2)] 144 C1 544 COc1ccc(cc1)[C@H]1n2nnnc2NC2=C1[C@H](Oc1c2cccc1)c1ccc(c(c1)Br)F COc1ccc(cc1)[C@H]1n2nnnc2NC2=C1[C@H](Oc1c2cccc1)c1ccc(c(c1)Br)F COc1ccc(cc1)[C@H]2n3nnnc3NC4=C2[C@H](Oc5ccccc45)c6ccc(F)c(Br)c6 InChIKey=WISBNYHZCODGPT-DHIUTWEWSA-N InChI=1S/C24H17BrFN5O2/c1-32-15-9-6-13(7-10-15)22-20-21(27-24-28-29-30-31(22)24)16-4-2-3-5-19(16)33-23(20)14-8-11-18(26)17(25)12-14/h2-12,22-23H,1H3,(H,27,28,30)/t22-,23-/m1/s1 InChI=1/C24H17BrFN5O2/c1-32-15-9-6-13(7-10-15)22-20-21(27-24-28-29-30-31(22)24)16-4-2-3-5-19(16)33-23(20)14-8-11-18(26)17(25)12-14/h2-12,22-23H,1H3,(H,27,28,30)/t22-,23-/m1/s1/f/h27H COc1ccc(cc1)[C@@H]2C3=C(c4ccccc4O[C@@H]3c5ccc(c(c5)Br)F)Nc6n2nnn6 C01[X(C24H17Br1F1N5O2)] 144 C01 544 COc1ccc(cc1)[C@H]1n2nnnc2NC2=C1[C@H](Oc1c2cccc1)c1ccc(c(c1)Br)F CO[C]1[CH][CH][C]([CH][CH]1)[C@H]1[N@]2[N][N][N][C]2NC2=C1[C@H](O[C]1[C]2[CH][CH][CH][CH]1)[C]1[CH][CH][C]([C]([CH]1)Br)F CO[C]1[CH][CH][C]([CH][CH]1)[C@H]2N3[N][N][N][C]3NC4=C2[C@H](O[C]5[CH][CH][CH][CH][C]45)[C]6[CH][CH][C](F)[C](Br)[CH]6 InChIKey=WISBNYHZCODGPT-DHIUTWEWSA-N InChI=1S/C24H17BrFN5O2/c1-32-15-9-6-13(7-10-15)22-20-21(27-24-28-29-30-31(22)24)16-4-2-3-5-19(16)33-23(20)14-8-11-18(26)17(25)12-14/h2-12,22-23H,1H3,(H,27,28,30)/t22-,23-/m1/s1 InChI=1/C24H17BrFN5O2/c1-32-15-9-6-13(7-10-15)22-20-21(27-24-28-29-30-31(22)24)16-4-2-3-5-19(16)33-23(20)14-8-11-18(26)17(25)12-14/h2-12,22-23H,1H3,(H,27,28,30)/t22-,23-/m1/s1/f/h27H 3826.4126195013 -4009.9547987 1-A 17110.4341 128 416 544 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415.7051 423.5694 453.3269 465.4314 499.5377 504.9666 516.7524 528.4541 558.3846 567.6794 582.1798 591.7207 607.1241 619.8932 636.5311 671.8562 694.4993 695.6536 735.7401 738.1779 777.9534 785.4566 809.7571 819.9717 826.1754 831.4316 839.3715 853.8173 858.5251 891.3857 891.8550 901.3625 925.6500 927.5684 945.4488 949.1604 966.9299 985.2040 988.8982 1056.4942 1069.4272 1074.4323 1080.7357 1093.7620 1096.5645 1109.1070 1116.1763 1124.3418 1135.1766 1156.1392 1160.0027 1181.3364 1201.9866 1207.5980 1213.6403 1222.8772 1244.3987 1261.0474 1269.5528 1280.3529 1282.0186 1293.8926 1301.1508 1316.1988 1321.9413 1336.8016 1340.3176 1345.9341 1377.8480 1396.0291 1405.0747 1414.6015 1425.3410 1431.1361 1441.8928 1447.6247 1465.4398 1485.9118 1508.5582 1537.7937 1569.8405 1583.7938 1595.5130 1624.3555 1631.7694 1641.1057 1651.5175 1659.7811 1670.4951 1682.3033 1700.2182 1727.5803 1775.4805 1778.6224 1780.7294 1803.0224 1809.1791 1812.9599 1819.3776 1891.7554 3211.0175 3227.2269 3275.2210 3294.3835 3332.6257 3363.7890 3366.7657 3368.5927 3374.8706 3378.3191 3393.7900 3398.5260 3402.6672 3403.5390 3408.9540 3415.9095 3892.4532 9.9355 7.9956 5.3213 4.7144 5.4159 9.0644 5.8833 4.0420 6.8706 8.0770 5.9564 5.6593 5.6288 6.1743 6.3492 5.9503 7.0608 9.8358 4.5609 1.3896 3.5452 7.4342 6.1669 7.3350 3.0959 7.2624 2.9855 3.9852 3.1142 6.0865 2.9956 3.9838 3.3207 4.5087 6.0219 5.1725 4.5840 4.6776 5.8825 5.4492 3.3845 5.2797 6.4857 6.6627 5.2553 6.8369 5.5941 4.7155 11.1778 4.6114 4.2080 5.9791 6.6377 5.5647 4.8396 1.3507 5.2691 5.4909 4.3772 2.9958 1.5527 1.7621 1.9881 2.7113 1.8402 3.2717 1.5860 2.7621 1.3902 1.8026 1.3561 1.3613 2.7546 1.3191 10.9944 2.8833 2.9837 3.3606 5.8096 2.9855 1.8799 2.9400 2.3468 3.3361 3.6743 2.7272 2.1730 2.5977 1.2669 1.2492 2.3914 2.3106 2.1725 1.7228 2.3361 3.0078 1.8531 2.9015 2.3416 2.4934 2.8407 2.0015 1.6541 1.9852 2.1280 1.4625 1.3807 2.4780 2.8518 2.3582 2.4552 1.2034 5.7594 1.0478 1.0551 2.9712 3.1012 2.4640 4.2855 6.1100 6.1575 6.8955 7.7783 6.0232 6.1517 5.3666 9.0101 1.0343 1.0855 1.1076 1.0871 1.1021 1.0908 1.0907 1.0874 1.0910 1.0917 1.0957 1.0950 1.0973 1.0957 1.0932 1.0922 1.0788 0.0005 0.0010 0.0020 0.0024 0.0032 0.0099 0.0164 0.0169 0.0345 0.0581 0.0745 0.0768 0.0926 0.1186 0.1300 0.1683 0.2226 0.3453 0.1905 0.0611 0.1893 0.4358 0.3954 0.5519 0.2539 0.6451 0.2791 0.4058 0.3292 0.7370 0.3823 0.5857 0.4989 0.7094 0.9908 0.9502 0.8704 0.9341 1.2135 1.1834 0.7663 1.2604 1.7249 1.8934 1.4984 2.1805 1.7960 1.6814 4.0630 1.7815 1.6670 2.4045 2.7035 2.3099 2.0787 0.5866 2.4667 2.5733 2.0953 1.5124 0.7871 0.9280 1.0553 1.4935 1.0524 1.8851 1.0430 1.8612 0.9456 1.2405 0.9558 0.9644 1.9964 0.9683 8.1888 2.1891 2.3498 2.6643 4.7768 2.5414 1.6152 2.5514 2.0677 3.0437 3.4426 2.5898 2.0988 2.5155 1.2496 1.2460 2.4409 2.3790 2.2874 1.8235 2.4934 3.3643 2.1278 3.3749 2.7607 2.9846 3.4280 2.4518 2.0424 2.5118 2.7683 1.9609 1.9237 3.5980 4.2148 3.5369 3.8168 1.8879 9.1390 1.6838 1.7126 4.8851 5.1711 4.1966 7.5358 11.3481 11.4769 12.8829 14.8982 11.6155 11.9130 10.4663 18.9981 6.2835 6.6608 7.0005 6.9511 7.2116 7.2718 7.2842 7.2703 7.3215 7.3409 7.4356 7.4513 7.4851 7.4786 7.4851 7.5087 9.6304 0.1520 0.1556 1.1747 0.6300 0.5898 0.4989 0.8684 3.8063 1.1020 0.4982 1.0642 0.2307 2.1312 0.5687 0.1201 5.6988 0.1823 1.2819 0.9803 0.8854 0.6535 0.4627 7.8945 4.1720 25.4035 0.5096 57.0385 37.5047 39.2607 10.6683 0.0629 2.3769 2.3834 0.3295 6.1675 4.7904 13.6932 0.8152 18.5681 11.5250 14.7607 10.1469 14.6724 4.7602 6.5442 29.6107 0.8066 16.6017 2.1382 1.7388 9.3066 2.0374 9.9522 24.8737 5.7823 76.7153 13.0489 21.9197 10.5613 18.0081 4.7441 60.9829 4.0374 8.4314 5.2033 22.7525 14.6841 9.5031 1.9237 2.5211 0.3533 1.2902 0.4243 0.3980 6.5375 7.3648 24.5208 57.7462 56.8829 14.6694 15.1088 5.0882 21.1563 23.7053 16.7054 4.2242 3.3787 12.4623 3.1465 70.6007 3.8785 66.5475 4.8829 3.6823 9.8219 122.0456 14.2463 40.6062 88.3497 81.2045 344.1208 51.2898 46.2007 37.8917 14.1056 13.8507 4.4455 19.3457 30.9062 13.5862 21.9397 31.2795 56.2074 5.3088 31.1988 52.2910 126.7452 157.3219 110.9988 3.8534 16.5456 39.8061 463.0794 53.3628 14.5201 119.7579 164.4501 49.0266 24.1030 50.3318 23.9827 44.9249 13.1122 12.8723 0.1936 6.3619 15.4355 21.3660 8.1679 11.8258 4.7589 11.0817 0.2081 92.1890 3.6290 0.7982 3.1127 5.4014 4.0928 3.2667 2.8852 1.0761 1.8347 2.4232 2.9893 2.3526 0.6894 1.3608 1.0566 0.8844 1.2339 2.1045 2.7665 1.5981 0.6943 2.6128 4.2920 6.3353 3.5178 0.4325 1.4243 5.4219 2.4945 1.2593 0.0226 0.4241 0.0230 0.6703 1.9866 5.3022 0.2811 2.2099 4.2291 1.6691 0.9413 1.6613 3.2756 6.9005 1.2844 12.6518 4.2257 1.2035 1.4062 1.9333 3.8547 1.9776 2.5940 6.9233 3.3505 1.9406 6.8557 5.1779 9.9597 25.6606 9.7441 3.0922 3.0872 3.1551 5.3760 10.8404 0.7018 5.1423 1.2993 2.6806 0.2301 0.2629 0.4916 0.3671 2.5794 20.2431 3.5390 4.6549 2.6981 3.1081 1.6949 6.8622 17.1861 8.9667 4.3494 4.8720 6.0505 1.9036 4.4654 14.2483 11.6943 2.4190 14.5615 2.7723 5.3657 30.9083 10.5050 91.0234 6.5644 2.5900 9.7867 8.1376 30.6675 17.2172 6.6307 7.6434 6.4011 5.9453 7.2332 1.3670 3.1735 7.1305 8.2757 26.2248 13.9423 35.4684 1.8255 1.8792 12.3332 50.3662 4.1363 18.5519 14.6829 21.7099 118.1296 84.1725 279.9512 103.0488 65.5299 40.4877 89.0315 159.7976 50.6210 33.3752 46.3655 53.1516 94.6143 124.3893 143.1599 199.4394 174.8321 88.6446 32.5270 68.0545 0.7479 0.7363 0.7428 0.7426 0.7494 0.7225 0.7497 0.7494 0.4997 0.6939 0.7464 0.7480 0.7274 0.7221 0.7494 0.6848 0.4152 0.6880 0.1465 0.4495 0.2471 0.7499 0.1924 0.3273 0.4576 0.4998 0.6060 0.4903 0.4184 0.3938 0.5191 0.2551 0.5098 0.6998 0.3698 0.5184 0.6642 0.6873 0.6659 0.6704 0.0690 0.4210 0.7498 0.6248 0.6521 0.1480 0.7414 0.7413 0.3384 0.1619 0.0522 0.5249 0.2273 0.2424 0.1641 0.0348 0.1483 0.7458 0.1024 0.1404 0.2023 0.7454 0.2635 0.7484 0.5479 0.2987 0.2837 0.0527 0.5783 0.2223 0.3266 0.3824 0.6782 0.2819 0.5031 0.1452 0.1748 0.2205 0.5691 0.2114 0.1956 0.6033 0.4863 0.7160 0.7497 0.7076 0.6250 0.6364 0.7488 0.1235 0.0686 0.6424 0.2434 0.4292 0.2007 0.1926 0.1150 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2258.65 2278.73 2295.59 2337.09 2347.75 2361.19 2376.17 2388.05 2403.47 2420.46 2446.23 2485.60 2554.52 2559.04 2562.07 2594.15 2603.01 2608.44 2617.68 2721.81 4619.94 4643.26 4712.31 4739.88 4794.91 4839.74 4844.02 4846.65 4855.69 4860.65 4882.91 4889.72 4895.68 4896.93 4904.72 4914.73 5600.37 0.403852 0.428502 0.429446 0.344150 -4009.550947 -4009.526297 -4009.525353 -4009.610649 2.860842D-04 MUNgauss RevisionA2.1 retrievium 01-Jun-2021 DUDE COc1ccc(cc1)[C@@H]2C3=C(c4ccccc4O[C@@H]3c5ccc(c(c5)Br)F)Nc6n2nnn6 C28055974 RHF 6-31G(d) (6D,10F) C1 505.054964 |X|Y|Z| 64.438527 54.124427 100.146033 70.424573 29 6 7 8 23 5 1 |36.858105| |13.601410|73.516695| |8.013208|25.183654|36.858105| |5.261322|14.598036|13.696477|36.858105| |3.990200|9.428148|7.939640|13.818060|36.858105| |3.781418|8.185165|6.814721|7.897097|13.698688|36.858105| |4.517500|9.254379|7.942661|6.906127|8.000242|13.757583|36.858105| |6.724271|13.995444|13.714688|7.933822|6.888910|7.881949|13.746891|36.858105| |2.914604|5.985235|4.412910|5.009693|7.541924|12.520235|7.507242|4.989004|36.858105| |2.687147|5.593822|4.005209|4.835707|7.433511|8.975809|5.608837|4.197688|17.559094|0.500000| |2.654717|5.250090|3.709838|3.946756|5.190780|7.467592|6.163897|4.321682|12.528655|0.247349|36.858105| |2.378038|4.553330|3.105949|3.184111|3.918376|5.270140|4.934349|3.660616|7.560855|0.165676|14.306292|36.858105| |2.146641|4.030945|2.662644|2.685513|3.150522|3.938568|3.864615|3.087577|4.925899|0.119122|7.834102|12.936311|36.858105| |1.891689|3.501991|2.260454|2.265799|2.594446|3.125958|3.108768|2.584827|3.778920|0.094610|5.133107|7.519145|13.689384|36.858105| |1.741161|3.191953|2.022584|2.015058|2.255491|2.635074|2.649535|2.281513|3.043222|0.078062|3.940132|5.028721|7.904267|13.785435|36.858105| |1.773626|3.248143|2.047226|2.033997|2.253954|2.600216|2.626238|2.295055|2.921032|0.075518|3.801318|4.485547|6.860080|7.959532|13.728971|36.858105| 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|2.281432|4.552367|3.041754|3.379484|4.183145|4.642039|3.870974|3.201922|5.679476|0.170658|7.429615|5.592071|5.279929|3.975608|3.485001|3.680768|4.643318|6.051886|14.002250|12.483905|0.249932|36.858105| |2.240745|4.486665|2.921118|3.262818|3.838742|3.946051|3.386611|2.965044|4.322345|0.130626|5.016287|4.029154|3.956873|3.182406|2.939489|3.201505|3.998136|4.682617|10.821292|7.593314|0.203073|13.682639|36.858105| |1.967210|3.912976|2.483065|2.780862|3.192247|3.182216|2.759866|2.476010|3.486128|0.107751|3.849531|3.283293|3.268952|2.776920|2.622130|2.831133|3.364673|3.712250|7.744508|5.021986|0.133502|7.890788|13.805886|36.858105| |1.793102|3.544028|2.245854|2.512662|2.915629|2.943711|2.540184|2.256181|3.365009|0.105981|3.691182|3.260443|3.243498|2.830121|2.658719|2.795179|3.198034|3.512403|6.846221|4.433574|0.112061|6.872414|8.003482|13.799471|36.858105| |1.809892|3.568492|2.293548|2.558741|3.049762|3.189813|2.717159|2.348580|3.882474|0.123803|4.372233|3.920367|3.844713|3.333323|3.033439|3.089007|3.489341|3.974575|7.440893|4.976611|0.117831|7.908006|6.901171|7.939316|13.828776|36.858105| |2.017612|3.990607|2.627347|2.921226|3.600145|3.962764|3.311081|2.755461|5.156822|0.162665|6.377743|5.427216|5.131052|4.111602|3.556842|3.589410|4.213693|5.247112|10.047942|7.446436|0.158028|13.747096|7.974819|6.879246|7.980217|13.745033|36.858105| |1.576981|3.072590|1.945509|2.145995|2.509131|2.618479|2.277588|1.992832|3.171840|0.099404|3.425287|3.300031|3.250366|3.035879|2.791306|2.729646|2.887701|3.165695|5.566830|3.526561|0.085709|4.588655|4.099108|4.601406|6.705573|10.095567|6.683779|2539.412838| |1.617551|3.175600|1.976940|2.199028|2.490660|2.476111|2.172713|1.967620|2.767634|0.086248|2.952724|2.685036|2.688666|2.429851|2.325979|2.433108|2.698991|2.866921|5.440516|3.391416|0.087998|4.654752|5.321862|8.190955|14.424248|8.141755|5.296583|213.870129|97.533100| |2.267237|4.297384|2.896409|2.947184|3.567320|4.690627|4.488744|3.406726|6.509211|0.145678|7.980327|13.663804|7.770018|6.532264|4.440295|3.745971|3.926676|5.166339|8.218796|5.067188|0.119049|4.114296|3.181959|2.724842|2.766877|3.303305|4.232316|102.039146|5.305619|53.358707| |2.400263|4.616087|3.152910|3.261765|4.035790|5.356732|4.908394|3.673371|7.614507|0.167214|6.947906|8.074171|5.158214|4.459961|3.372960|2.974043|3.146593|3.975827|6.857542|4.480450|0.111935|3.753167|2.984994|2.587030|2.625512|3.092591|3.849491|96.741678|5.089112|19.064321|36.858105| |2.677259|5.331651|3.778999|4.091199|5.476320|7.725160|6.088362|4.324554|13.068377|0.257027|7.976774|7.061939|4.569674|3.768182|2.977129|2.743178|3.001476|3.819950|7.086478|5.020522|0.130579|4.185610|3.324242|2.838462|2.839002|3.309396|4.160952|99.819529|5.440945|11.095026|14.386877|53.358707| |2.650472|5.298620|3.677643|4.027642|5.159036|6.274349|5.156520|4.023350|7.674729|0.190519|5.163265|4.739800|3.473477|3.030052|2.489645|2.306139|2.478258|3.010879|5.577008|3.796051|0.102950|3.356894|2.815988|2.485382|2.499804|2.847340|3.377476|89.118269|4.921513|7.537375|8.893180|19.330211|53.358707| |2.387791|4.623885|3.094875|3.251760|3.893465|4.624089|4.203057|3.425465|5.469871|0.136863|4.316392|4.345866|3.301938|3.010184|2.471843|2.243228|2.350618|2.800186|5.005273|3.249842|0.086670|2.902392|2.457406|2.203443|2.240921|2.556278|2.977419|82.813829|4.477140|7.563531|9.128727|12.479513|20.778974|53.358707| |2.254451|4.285400|2.853292|2.927998|3.480366|4.298163|4.068392|3.253767|5.354431|0.128710|4.735444|5.282318|3.931771|3.658266|2.899423|2.552426|2.633006|3.164562|5.443881|3.443016|0.088830|3.018363|2.503699|2.230446|2.279822|2.640305|3.129336|85.907926|4.527870|10.810301|14.721980|12.116936|12.053744|19.297364|53.358707| |17.561422|16.433012|7.009845|4.745474|3.783282|3.720491|4.571905|6.719773|2.901532|0.073628|2.729484|2.454431|2.249230|1.973924|1.828914|1.882194|2.110733|2.340268|4.733276|2.756981|0.088300|2.357887|2.324945|2.022309|1.827736|1.839507|2.060200|54.114704|3.694995|3.137216|2.389417|3.581403|3.456758|3.130019|3.016067|0.500000| |17.565559|16.438502|7.057459|4.784190|3.811185|3.741764|4.588562|6.734165|2.916264|0.073771|2.636207|2.399816|2.149400|1.908652|1.746816|1.759423|1.937511|2.163934|4.270079|2.539342|0.079190|2.190477|2.115097|1.862661|1.719527|1.755464|1.963254|52.639967|3.494243|3.178474|2.500344|3.760826|3.779462|3.449414|3.243460|0.298792|0.500000| |17.650614|17.003502|5.885915|4.421348|3.417167|3.177914|3.620874|4.903810|2.537025|0.066205|2.326646|2.102225|1.920338|1.711570|1.589717|1.622414|1.792903|1.971691|3.925636|2.326257|0.073152|2.064025|2.053004|1.830616|1.672431|1.675202|1.841918|50.061630|3.429330|2.739591|2.124311|3.198784|3.197686|2.909537|2.743664|0.300054|0.299970|0.500000| |4.872978|13.493205|8.958896|17.741675|8.893136|5.619141|4.971218|5.658301|4.081671|0.114661|3.323105|2.745478|2.368662|2.032614|1.830520|1.853468|2.093477|2.411232|5.004037|3.325060|0.109068|3.050886|3.038094|2.668337|2.413094|2.414944|2.680535|69.637023|4.830526|3.488465|2.817177|4.694474|4.737746|3.914881|3.513393|0.119457|0.120460|0.121452|0.500000| |3.336376|7.627826|5.655475|8.982574|17.705153|8.902453|5.668665|4.959434|7.007559|0.229715|4.854111|3.695305|3.000595|2.498743|2.179786|2.173161|2.474807|2.974361|6.225610|4.614345|0.147332|4.333393|4.021474|3.435715|3.180178|3.320219|3.840761|92.740659|6.115262|4.604549|3.832782|7.070474|6.841367|5.147748|4.550094|0.087965|0.088632|0.082308|0.215327|0.500000| |3.920737|7.468779|5.660915|4.968644|5.665979|8.919932|17.708990|8.975897|6.946061|0.140335|6.573849|5.750451|4.445591|3.546226|2.966998|2.900863|3.320247|4.197180|8.418696|5.244074|0.157725|3.772341|3.224413|2.637332|2.458209|2.667090|3.281426|76.994046|4.735785|7.198925|5.529042|8.465846|6.813302|5.884117|6.075100|0.113235|0.113385|0.089174|0.107826|0.124246|0.500000| |7.444928|12.479949|8.860257|5.632222|4.964347|5.640431|8.961775|17.765894|4.085586|0.096567|3.759357|3.352491|2.922765|2.496442|2.232464|2.250111|2.538564|2.945331|5.957633|3.544942|0.113147|2.838399|2.648172|2.239615|2.050130|2.128709|2.472016|62.288676|4.061782|4.311125|3.338626|5.068051|4.751064|4.231462|4.109608|0.224628|0.222870|0.145678|0.124121|0.107702|0.218374|0.500000| |1.822759|3.371450|2.170803|2.181490|2.499827|3.001491|2.970390|2.473857|3.666250|0.092139|4.678034|6.857429|8.888283|17.725748|8.968246|5.663951|4.951279|5.645079|7.499607|3.946242|0.091787|3.511937|2.840070|2.526239|2.615780|3.102370|3.744266|100.485846|5.129567|9.871431|4.860463|5.280742|4.307557|4.419833|5.577019|0.052325|0.051542|0.045919|0.054525|0.067230|0.094013|0.066405|0.500000| |1.602528|2.921516|1.832084|1.823164|2.021522|2.328113|2.344516|2.049878|2.658942|0.068931|3.289066|4.086163|5.633011|8.932183|17.734380|8.893823|5.636686|4.957349|6.525069|3.168761|0.076221|2.950490|2.547504|2.326542|2.384678|2.699206|3.061160|87.775457|4.795085|5.248507|3.031068|3.620038|3.102315|3.130225|3.667016|0.046562|0.044836|0.040902|0.046366|0.054524|0.072395|0.056064|0.216604|0.500000| |1.648027|2.998593|1.864498|1.847672|2.018740|2.284797|2.315388|2.067043|2.515752|0.065836|3.145386|3.579774|4.945638|5.656044|8.910922|17.721778|8.950192|5.667053|7.571009|3.362529|0.082190|3.164012|2.863183|2.597436|2.563586|2.766936|3.095196|84.804383|5.132345|4.223441|2.550751|3.233418|2.777534|2.713705|3.048841|0.048630|0.045327|0.042203|0.047218|0.054260|0.070195|0.056707|0.124494|0.214419|0.500000| |1.967519|3.628946|2.287088|2.273027|2.495253|2.833419|2.860426|2.538084|3.058400|0.079738|3.996307|4.176332|5.641746|4.952451|5.622729|8.860087|17.743304|8.977241|13.238614|4.899664|0.119402|4.442127|4.105886|3.470135|3.193782|3.335287|3.890136|92.550627|6.111324|4.489122|2.757493|3.671604|3.088099|2.908639|3.190475|0.058887|0.053099|0.049917|0.057548|0.066435|0.085372|0.068634|0.107535|0.123647|0.213794|0.500000| |2.429295|4.873520|3.156443|3.480059|3.954369|3.999686|3.535954|3.177696|4.079795|0.118723|4.644151|3.732148|3.678217|2.965987|2.773651|3.068472|3.881343|4.463830|10.874619|7.100231|0.220876|8.906384|17.716920|8.970548|5.682165|4.966596|5.661452|113.276027|9.641876|4.046623|2.807830|4.266557|3.653235|3.189095|3.231059|0.070889|0.062766|0.061730|0.089990|0.111471|0.092340|0.078947|0.073364|0.066947|0.077024|0.114534|0.500000| |1.903714|3.774193|2.349617|2.616722|2.909472|2.836935|2.508416|2.309037|2.997047|0.091330|3.229963|2.802683|2.807297|2.434436|2.338148|2.541338|2.980372|3.187385|6.586826|4.089867|0.113451|5.609144|8.862213|17.743373|8.985180|5.666278|4.957606|130.687882|16.826902|3.235428|2.276912|3.386444|3.025842|2.701963|2.716557|0.054414|0.049731|0.049691|0.071028|0.086555|0.066280|0.058478|0.061890|0.058341|0.066019|0.087186|0.214064|0.500000| |1.987424|3.901285|2.579432|2.834689|3.516930|4.017769|3.376288|2.755332|5.590924|0.171345|7.130016|6.611807|5.959300|4.794065|3.921904|3.750493|4.237412|5.420247|9.528586|6.841777|0.142716|8.896883|5.653567|4.959598|5.686009|8.986454|17.769754|220.908571|9.620213|7.077862|4.591266|6.508241|5.123145|4.578083|4.953590|0.056160|0.054394|0.050226|0.071575|0.102870|0.095156|0.068989|0.124353|0.093559|0.088218|0.104017|0.124103|0.107680|0.500000| 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