Version2.0 2020-02-29T06:02:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCCC[NH+]1CCCNC(=O)c2cn3c(n2)CC[C@@H](C3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F C34899134 RHF 6-31G(d) (6D,7F) C[C@H]1CCCC[NH+]1CCCNC(=O)c2cn3c(n2)CC[C@@H](C3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F C01[X(C25H31F6N4O1)] 195 C1 602 O=C(c1cn2c(n1)CC[C@@H](C2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NCCC[NH+]1CCCC[C@@H]1C O=C(c1cn2c(n1)CC[C@@H](C2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NCCC[NH+]1CCCC[C@@H]1C C[C@H]1CCCC[NH+]1CCCNC(=O)c2cn3C[C@H](CCc3n2)c4cc(cc(c4)C(F)(F)F)C(F)(F)F InChIKey=SXXSYXTZECCWKB-IRXDYDNUSA-O InChI=1S/C25H30F6N4O/c1-16-5-2-3-9-34(16)10-4-8-32-23(36)21-15-35-14-17(6-7-22(35)33-21)18-11-19(24(26,27)28)13-20(12-18)25(29,30)31/h11-13,15-17H,2-10,14H2,1H3,(H,32,36)/p+1/t16-,17-/m0/s1 InChI=1/C25H30F6N4O/c1-16-5-2-3-9-34(16)10-4-8-32-23(36)21-15-35-14-17(6-7-22(35)33-21)18-11-19(24(26,27)28)13-20(12-18)25(29,30)31/h11-13,15-17H,2-10,14H2,1H3,(H,32,36)/p+1/t16-,17-/m0/s1/fC25H31F6N4O/h32,34H/q+1 C[C@H]1CCCC[NH+]1CCCNC(=O)c2cn3c(n2)CC[C@@H](C3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F C01[X(C25H31F6N4O1)] 195 C01 602 O=C(c1cn2c(n1)CC[C@@H](C2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NCCC[NH+]1CCCC[C@@H]1C C[C@H]1CCCC[NH]1CCCNC(=O)C1=CN2[C@@H](N1)CC[C@@H](C2)c1cc(cc(c1)C(F)(F)F)C(F)(F)F C[C@H]1CCCC[NH]1CCCNC(=O)C2=CN3C[C@H](CC[C@@H]3N2)c4cc(cc(c4)C(F)(F)F)C(F)(F)F InChIKey=JBXKIUAQDFXMJH-PNLZDCPESA-N InChI=1S/C25H33F6N4O/c1-16-5-2-3-9-34(16)10-4-8-32-23(36)21-15-35-14-17(6-7-22(35)33-21)18-11-19(24(26,27)28)13-20(12-18)25(29,30)31/h11-13,15-17,22,33-34H,2-10,14H2,1H3,(H,32,36)/t16-,17-,22+/m0/s1 InChI=1/C25H33F6N4O/c1-16-5-2-3-9-34(16)10-4-8-32-23(36)21-15-35-14-17(6-7-22(35)33-21)18-11-19(24(26,27)28)13-20(12-18)25(29,30)31/h11-13,15-17,22,33-34H,2-10,14H2,1H3,(H,32,36)/t16-,17-,22+/m0/s1/f/h32H 3772.7471243306 -1853.9516368 1-A 40050.7354 135 467 602 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.39806 -26.39639 -26.39520 -26.39115 -26.39018 -26.38997 -20.61566 -15.82825 -15.71110 -15.67483 -15.62910 -11.56434 -11.56261 -11.44053 -11.43203 -11.42412 -11.40742 -11.38183 -11.37769 -11.36571 -11.36256 -11.36056 -11.35842 -11.35528 -11.35249 -11.34747 -11.33592 -11.33466 -11.33427 -11.33321 -11.33122 -11.33003 -11.32976 -11.32975 -11.31826 -11.31580 -1.79448 -1.79271 -1.69306 -1.69136 -1.68771 -1.68591 -1.48221 -1.46709 -1.44739 -1.33306 -1.28631 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|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|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| 6.4932 8.2747 10.1813 14.7284 19.5662 28.4623 37.2382 50.5974 65.4103 73.3777 90.5273 96.5871 108.3752 115.8726 129.8078 140.6110 164.3646 170.5309 189.6734 191.8106 199.1108 217.6563 241.9879 253.4154 263.0835 292.5704 296.8974 304.1087 306.2187 336.0705 343.3017 347.9663 360.8804 365.6777 386.1612 389.2927 393.4998 416.6495 431.9769 442.7486 453.6401 473.3817 478.9698 503.2426 530.5130 546.9389 552.5871 574.3327 580.7820 593.9302 602.9975 620.6995 624.8857 658.5153 678.5858 692.5351 713.2964 735.2302 746.7391 749.0397 778.9041 785.3788 788.9297 802.5393 828.8652 851.0962 864.2829 873.9757 901.0727 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3220.6995 3222.9413 3239.9048 3243.5856 3247.8208 3260.8398 3265.2848 3272.3421 3275.3574 3275.5687 3277.9269 3280.1938 3282.6007 3283.8110 3292.0773 3299.3179 3299.4799 3317.3036 3364.7351 3372.7079 3378.8410 3399.6539 3425.3791 3478.3963 3684.3464 3869.5878 18.5343 9.2829 15.5552 4.7459 4.7790 5.0288 4.3403 4.8628 4.4935 5.8913 4.3380 5.0949 8.6146 3.1846 6.2247 4.4585 7.2583 5.0857 2.6040 2.5413 6.1476 2.1212 3.2550 2.7621 1.7381 3.4732 4.6252 4.0021 7.3387 3.5291 5.0257 1.7191 3.7248 2.9131 2.7534 2.9934 7.9860 7.2934 2.7875 3.6615 6.9246 3.5689 3.9143 4.3323 2.6038 3.6772 12.0757 5.9537 1.5453 1.6823 2.6206 8.3997 4.8210 7.2473 6.0545 3.8127 5.2458 3.9552 12.5303 7.6009 5.5889 1.5650 2.1910 6.7529 2.2576 3.0288 3.9981 2.0356 1.9111 2.3081 3.2516 7.4790 2.0422 1.7343 1.9901 2.2900 1.9025 1.7929 1.7955 1.7235 2.8202 2.5305 1.4132 1.4903 3.2322 2.2393 2.2272 5.1237 1.7585 1.8287 2.8861 2.2259 1.7377 2.6330 2.3841 1.9126 2.9246 1.5739 3.2227 2.0777 1.8388 3.9854 1.6317 2.6731 1.8683 1.6060 1.7764 2.0010 1.5285 1.3181 12.7513 1.3560 11.3459 1.9971 7.9107 3.8460 1.5090 1.5756 1.6568 1.1931 1.2985 3.2586 1.3733 1.7358 1.2761 1.3555 1.3578 1.3787 1.5430 1.2749 1.8218 1.3045 2.5222 1.4609 2.7070 1.3789 1.3406 1.3381 1.9144 1.3168 1.3866 1.2740 1.2958 2.8860 1.0887 1.2627 1.0844 3.1746 2.5231 1.0788 1.0867 1.1685 1.1039 1.0985 1.0932 1.0527 1.1445 1.0867 2.1972 9.1577 4.8144 5.5292 5.3341 8.6182 1.0721 1.0743 1.0797 1.0736 1.0651 1.0459 1.0699 1.0619 1.0631 1.0632 1.0760 1.0795 1.0811 1.0980 1.0947 1.0956 1.0983 1.0937 1.0983 1.1068 1.1061 1.0965 1.1039 1.1061 1.0981 1.0925 1.0918 1.0933 1.1013 1.0778 1.0799 0.0005 0.0004 0.0010 0.0006 0.0011 0.0024 0.0035 0.0073 0.0113 0.0187 0.0209 0.0280 0.0596 0.0252 0.0618 0.0519 0.1155 0.0871 0.0552 0.0551 0.1436 0.0592 0.1123 0.1045 0.0709 0.1752 0.2402 0.2181 0.4054 0.2348 0.3490 0.1226 0.2858 0.2295 0.2419 0.2673 0.7286 0.7460 0.3065 0.4229 0.8396 0.4712 0.5291 0.6464 0.4318 0.6481 2.1725 1.1571 0.3071 0.3496 0.5614 1.9067 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12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 18.99840 18.99840 18.99840 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 1.00783 8527.0255 70366.8539 71355.6322 0.99997 0.00232 0.00786 -0.00236 0.99998 0.00512 -0.00785 -0.00514 0.99996 1 0.01016 0.00123 0.00121 0.21165 0.02565 0.02529 9.34 11.91 14.65 21.19 28.15 40.95 53.58 72.80 94.11 105.57 130.25 138.97 155.93 166.71 186.76 202.31 236.48 245.36 272.90 275.97 286.48 313.16 348.17 364.61 378.52 420.94 427.17 437.54 440.58 483.53 493.93 500.65 519.23 526.13 555.60 560.11 566.16 599.47 621.52 637.02 652.69 681.09 689.13 724.05 763.29 786.92 795.05 826.34 835.62 854.53 867.58 893.05 899.07 947.46 976.33 996.40 1026.27 1057.83 1074.39 1077.70 1120.67 1129.98 1135.09 1154.68 1192.55 1224.54 1243.51 1257.46 1296.44 1300.30 1329.59 1343.02 1357.75 1367.87 1388.64 1419.46 1440.13 1451.02 1475.42 1483.15 1510.56 1518.50 1528.87 1534.99 1542.34 1556.11 1561.28 1569.41 1579.55 1589.17 1623.79 1658.44 1685.22 1689.13 1718.21 1724.51 1726.49 1755.83 1758.90 1769.85 1775.99 1799.68 1827.62 1848.97 1854.04 1876.63 1885.17 1918.01 1934.18 1943.76 1952.28 1957.20 1961.44 1966.14 1986.68 1999.95 2005.24 2033.07 2039.78 2045.43 2060.60 2064.64 2093.27 2102.21 2103.66 2113.24 2127.46 2137.96 2144.53 2156.14 2164.79 2181.47 2197.66 2219.40 2219.83 2224.71 2233.88 2250.51 2251.25 2262.97 2272.15 2279.26 2293.18 2305.49 2339.39 2343.70 2346.94 2347.22 2349.38 2353.64 2361.36 2364.64 2365.61 2371.07 2380.41 2389.87 2393.45 2408.82 2448.27 2513.56 2544.40 2623.83 2632.96 2724.76 4600.68 4616.97 4620.33 4626.64 4628.53 4633.87 4637.09 4661.50 4666.80 4672.89 4691.62 4698.02 4708.17 4712.51 4712.81 4716.21 4719.47 4722.93 4724.67 4736.56 4746.98 4747.22 4772.86 4841.10 4852.57 4861.40 4891.34 4928.36 5004.64 5300.95 5567.47 0.595011 0.626236 0.627180 0.524332 -1853.356625 -1853.325401 -1853.324457 -1853.427305 3.449539D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE C[C@H]1CCCC[NH+]1CCCNC(=O)c2cn3c(n2)CC[C@@H](C3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F C34899134 RHF 6-31G(d) (6D,10F) C1 517.240206 |X|Y|Z| 47.372234 50.257100 187.830445 76.470823 26 6 7 22 4 |36.858105| |12.470937|36.858105| |8.838627|17.584680|0.500000| |7.560177|12.434179|0.245455|36.858105| |4.887197|7.452167|0.189336|12.483114|36.858105| |4.364832|6.441196|0.160921|7.628660|12.502222|36.858105| |4.918950|7.589436|0.196981|6.554597|7.574131|12.531514|36.858105| |7.530550|12.496268|0.254404|7.641206|6.454139|7.601002|12.587456|53.358707| |7.010042|9.263729|0.182412|7.181721|5.922733|7.165348|9.315907|25.688396|0.500000| |6.391675|7.514067|0.192734|4.931180|4.345137|4.948831|7.614229|17.190514|0.259688|36.858105| |4.371943|4.876347|0.126177|3.789085|3.578423|4.336592|6.271159|10.196708|0.198496|12.398491|36.858105| |3.427081|3.914788|0.108460|3.203745|3.216474|3.926459|5.553708|7.363615|0.136717|7.368356|12.386260|36.858105| |2.823340|3.154263|0.085849|2.737402|2.799417|3.443242|4.422555|5.659357|0.112414|4.973111|7.719239|13.236667|53.358707| |2.671810|3.040286|0.081496|2.754564|2.903695|3.708912|4.530691|5.444921|0.111645|4.311732|6.075078|7.859543|19.240321|36.858105| |2.906609|3.434933|0.090816|3.179076|3.456798|4.719209|5.747859|6.351266|0.131501|4.623720|6.088017|6.952717|11.560916|15.686560|73.516695| |2.233132|2.474003|0.066501|2.299734|2.420490|2.978870|3.397945|4.190152|0.087097|3.263774|4.265642|5.108222|10.907243|12.963316|14.347664|36.858105| |2.036083|2.254077|0.060338|2.157992|2.301732|2.819133|3.050849|3.722908|0.078313|2.783436|3.433164|3.859535|7.069930|7.532738|11.488138|14.082799|36.858105| |1.804891|1.961202|0.052815|1.876740|1.978123|2.347969|2.523627|3.158813|0.066178|2.394138|2.898580|3.239725|5.768358|5.294747|7.996113|8.820945|13.990411|53.358707| |1.816483|1.953920|0.052929|1.835083|1.907312|2.239476|2.469130|3.150270|0.065421|2.463547|3.037410|3.483298|6.429795|5.401283|7.564052|8.988015|8.708221|19.074960|36.858105| |2.039405|2.207246|0.059854|2.034346|2.105328|2.502738|2.851643|3.641423|0.075107|2.920267|3.762640|4.527365|9.346792|7.653214|9.415425|13.894211|8.517297|11.823495|14.756561|53.358707| |1.616679|1.714004|0.046666|1.612703|1.662780|1.907803|2.083563|2.701348|0.055902|2.120377|2.541803|2.862938|4.949796|3.856980|5.692159|5.305850|5.262466|10.403453|12.709542|10.377659|36.858105| |1.483172|1.566434|0.042463|1.495814|1.544880|1.759244|1.878444|2.437533|0.050841|1.876464|2.199987|2.400877|3.990786|3.180504|4.940626|4.190528|4.596292|9.236593|7.613158|6.945649|12.438785|36.858105| |1.465508|1.565183|0.042463|1.513171|1.584839|1.814717|1.908240|2.431108|0.050672|1.836855|2.128093|2.325916|3.828399|3.169242|5.072418|4.186482|5.060029|10.548570|6.686634|6.288910|7.558365|12.388499|36.858105| |1.446686|1.553060|0.042448|1.498953|1.579270|1.806079|1.905154|2.406183|0.049681|1.821312|2.097850|2.334302|3.825879|3.142022|5.022021|4.097304|4.815579|9.445671|6.324099|6.182150|7.146416|8.933526|17.536151|0.500000| |1.614193|1.741333|0.046883|1.692348|1.785841|2.083108|2.179180|2.742880|0.057657|2.046907|2.398099|2.605422|4.364156|3.827588|6.197916|5.317508|7.556291|17.780697|7.583699|7.216130|6.346819|7.573142|12.415555|0.248641|36.858105| |1.334482|1.417221|0.038407|1.383987|1.447932|1.637311|1.694448|2.170133|0.045360|1.622990|1.844228|1.976572|3.151956|2.577116|4.256193|3.203546|3.802592|6.832660|4.397459|4.624462|4.894677|7.442781|12.538339|0.249985|7.587255|36.858105| |1.247654|1.327567|0.036180|1.302132|1.369169|1.536554|1.580181|2.013911|0.041832|1.499574|1.680380|1.807525|2.832643|2.295125|3.840961|2.767397|3.220001|5.434131|3.574040|3.941615|3.923548|5.211988|7.564956|0.207442|5.426356|13.772573|36.858105| |1.157125|1.225354|0.033368|1.208821|1.268025|1.409434|1.436907|1.841218|0.038310|1.363963|1.511304|1.605945|2.474863|1.987810|3.371879|2.330562|2.667509|4.295635|2.865518|3.279093|3.103326|3.950035|5.007077|0.134344|4.065725|7.893457|13.707645|36.858105| |1.138245|1.198288|0.032477|1.184711|1.235447|1.368722|1.390610|1.796550|0.037601|1.328574|1.470461|1.542321|2.367246|1.897054|3.230699|2.207554|2.516715|4.005706|2.679784|3.094895|2.887163|3.703553|4.410031|0.111317|3.760222|6.802493|7.929749|13.824779|36.858105| |1.203120|1.263050|0.034060|1.245437|1.292426|1.438591|1.466670|1.905003|0.040108|1.412256|1.576775|1.643528|2.544767|2.047789|3.467104|2.411896|2.769246|4.482843|2.981702|3.396057|3.218606|4.308584|4.996544|0.116858|4.308164|7.896304|6.914170|7.991658|13.715702|36.858105| |1.305021|1.374945|0.037041|1.347374|1.399131|1.573392|1.618702|2.096591|0.044171|1.563165|1.770076|1.859679|2.935236|2.385656|3.978753|2.901664|3.397204|5.813470|3.798426|4.142135|4.154077|6.108121|7.490748|0.155582|6.024136|13.661634|7.992923|6.907031|7.922322|13.805003|36.858105| |1.165281|1.213972|0.032608|1.200116|1.236521|1.366845|1.387891|1.820748|0.038527|1.347215|1.495965|1.536732|2.354090|1.878737|3.202738|2.168883|2.445590|3.830564|2.592023|3.036026|2.761743|3.523761|3.778269|0.090023|3.476036|5.026010|4.471102|5.064252|7.620685|12.649708|7.618337|36.858105| |1.109193|1.155906|0.031062|1.150473|1.188132|1.306037|1.314495|1.721676|0.036416|1.264777|1.390505|1.422694|2.155167|1.719777|2.967987|1.953077|2.197736|3.352641|2.256498|2.693792|2.357147|2.887374|3.148601|0.077647|2.987088|4.048847|3.875801|4.617848|6.865571|8.142662|5.372447|14.426437|97.533100| |1.234959|1.283650|0.034281|1.269465|1.302877|1.445192|1.466627|1.933227|0.041197|1.428283|1.593845|1.620955|2.490569|1.997909|3.411782|2.307818|2.611863|4.054777|2.722330|3.204323|2.837771|3.575474|3.743561|0.087306|3.641495|4.622923|3.876968|4.050053|5.312942|8.131460|6.954044|14.393951|20.086410|97.533100| |1.114119|1.153874|0.031057|1.135423|1.163272|1.278408|1.305193|1.724094|0.036394|1.284442|1.423610|1.462153|2.230009|1.753412|2.969564|2.009153|2.213228|3.459873|2.419431|2.858425|2.644286|3.339995|3.382055|0.082144|3.024918|4.293652|3.903320|4.376544|6.080473|8.140809|5.929076|14.406797|20.151712|20.141235|97.533100| |1.085619|1.150684|0.031482|1.138386|1.197806|1.321723|1.342150|1.715521|0.035511|1.267595|1.389724|1.479761|2.250812|1.793294|3.065802|2.059490|2.317724|3.614998|2.448106|2.878848|2.621054|3.138759|3.809029|0.108551|3.239660|5.048435|7.659379|12.654195|7.582102|5.042129|4.468770|3.801054|8.378748|7.072385|7.774414|36.858105| |1.104225|1.177530|0.032264|1.170724|1.241210|1.371801|1.384137|1.754142|0.036243|1.287383|1.405451|1.500024|2.273265|1.825848|3.153434|2.083655|2.366471|3.620240|2.406935|2.860110|2.499946|2.903037|3.605217|0.105067|3.224752|4.496135|6.464777|8.154473|5.635625|4.194996|3.902342|3.282802|7.386296|6.380746|6.588206|14.388861|97.533100| |1.020759|1.076973|0.029434|1.068736|1.120630|1.227902|1.241307|1.595561|0.033084|1.176290|1.281371|1.352367|2.037982|1.613769|2.775094|1.827496|2.035610|3.119028|2.130290|2.544951|2.269805|2.682465|3.115265|0.086717|2.735931|4.003628|5.272265|8.121496|7.007366|4.638639|3.858755|3.782425|8.819828|6.893208|7.892590|14.448820|20.103413|97.533100| |1.064776|1.127333|0.030973|1.109405|1.165302|1.282615|1.311557|1.678743|0.034585|1.248633|1.368479|1.467880|2.230223|1.757186|2.980279|2.013279|2.224475|3.478800|2.420586|2.857322|2.648493|3.116283|3.656504|0.108362|3.021455|4.542428|6.624061|8.154882|5.523706|4.143335|3.893595|3.243303|6.980084|6.181308|6.947117|14.399149|20.174884|20.092094|97.533100| |17.597270|8.936732|0.207014|7.224602|4.651120|3.897048|4.113221|7.528943|0.145545|4.744563|3.510310|2.894416|3.327218|2.338842|4.509681|1.994024|1.842105|2.242092|1.651532|2.494268|1.482978|1.370950|1.359263|0.037325|1.489358|1.247102|1.172092|1.092614|1.075852|1.133056|1.221702|1.100205|2.366660|2.616807|2.369522|1.029547|2.358780|2.185457|2.271960|0.500000| |17.623398|8.682733|0.215870|5.485810|4.029220|3.758929|4.437574|8.911152|0.163060|6.802551|4.542863|3.571667|3.928965|2.653657|5.005474|2.220386|1.999597|2.432159|1.821947|2.801290|1.631126|1.485818|1.456323|0.040020|1.591403|1.321901|1.235638|1.144157|1.123954|1.187783|1.290256|1.149265|2.454239|2.734629|2.482831|1.073735|2.449795|2.270061|2.379204|0.304192|0.500000| |17.540508|8.757416|0.173041|6.651327|4.468553|4.181337|4.582832|9.466666|0.210211|5.940308|4.404906|3.341021|3.846847|2.703929|5.227206|2.275749|2.084266|2.514214|1.853411|2.823653|1.647228|1.518110|1.496038|0.040736|1.654950|1.364570|1.269106|1.178336|1.164806|1.237474|1.343010|1.204122|2.576659|2.887688|2.588380|1.100666|2.513045|2.331646|2.421102|0.302871|0.300102|0.500000| |7.039478|8.973716|0.214341|17.581089|8.824882|5.532002|4.909851|7.589152|0.145441|4.100811|3.208723|2.780199|3.265493|2.393929|4.804081|2.039212|1.924032|2.309970|1.665222|2.492183|1.480832|1.379697|1.394137|0.038432|1.544502|1.283500|1.213662|1.132265|1.110676|1.163496|1.251627|1.124271|2.432936|2.667429|2.400919|1.071168|2.477554|2.270748|2.352675|0.222861|0.145447|0.165606|0.500000| |7.020988|8.868567|0.173784|17.498609|8.830263|6.806647|5.704922|9.333552|0.210013|4.583158|3.702804|3.057029|3.645886|2.730526|5.608028|2.303285|2.180356|2.580865|1.843835|2.766914|1.619396|1.511866|1.528174|0.041747|1.717540|1.402605|1.313733|1.222365|1.204546|1.272095|1.375190|1.232161|2.659224|2.949131|2.618750|1.146607|2.648158|2.427037|2.504185|0.184248|0.140681|0.201494|0.304197|0.500000| |4.489011|6.682095|0.198986|8.850294|17.525924|8.855918|6.780463|7.660444|0.135451|4.108569|3.359136|3.136529|3.676937|2.759971|5.732926|2.311429|2.187765|2.580572|1.840350|2.765351|1.614463|1.494801|1.533729|0.042767|1.712709|1.400882|1.332799|1.234206|1.197015|1.245575|1.346302|1.187734|2.569244|2.799318|2.520833|1.172162|2.737084|2.465917|2.577166|0.121382|0.107334|0.109517|0.215505|0.173503|0.500000| |4.082275|5.468189|0.139519|8.859820|17.584280|8.829705|5.512113|6.614223|0.131981|3.530936|3.041639|2.768483|3.383892|2.615482|5.494306|2.238219|2.171113|2.558195|1.795403|2.659191|1.574593|1.479221|1.526973|0.042185|1.720715|1.407943|1.336163|1.244580|1.215772|1.269149|1.365887|1.218076|2.647682|2.887437|2.572641|1.178655|2.755572|2.489675|2.570602|0.112208|0.094688|0.107589|0.210946|0.215946|0.303557|0.500000| |3.533719|4.845859|0.129761|5.519946|8.783079|17.579339|9.008231|7.575896|0.145479|4.131970|3.824842|3.703303|4.566538|3.712206|8.490579|3.031538|2.922712|3.295007|2.279623|3.436841|1.936177|1.790495|1.871952|0.052127|2.157128|1.689069|1.595326|1.460514|1.409567|1.473029|1.610489|1.390068|2.995401|3.290145|2.913754|1.374946|3.233996|2.864729|2.999612|0.089841|0.087565|0.093985|0.123378|0.139065|0.214746|0.208319|0.500000| |4.163772|5.628391|0.132877|6.793150|8.819918|17.517116|8.887439|9.292376|0.209418|4.600179|4.253326|3.723234|4.619158|3.754946|8.601448|3.059737|2.944903|3.315620|2.295339|3.465042|1.946472|1.810485|1.870145|0.051172|2.171369|1.692796|1.577757|1.449651|1.416738|1.498488|1.640086|1.430516|3.076079|3.428834|2.998393|1.351248|3.150452|2.828977|2.932849|0.103070|0.098776|0.117406|0.139150|0.198274|0.173414|0.214855|0.304409|0.500000| |4.617981|7.012223|0.216829|5.821986|6.838026|8.802439|17.595468|12.430045|0.182277|7.010075|5.567741|5.454783|5.721980|4.140184|8.815516|3.165857|2.827932|3.240458|2.356669|3.701757|2.011984|1.804939|1.832143|0.051330|2.062454|1.627579|1.530167|1.391731|1.339772|1.403683|1.544878|1.323912|2.824303|3.125035|2.812039|1.308686|3.040574|2.721857|2.894253|0.110219|0.120533|0.113851|0.130294|0.133315|0.199987|0.139529|0.214332|0.173369|0.500000| |4.109884|5.558711|0.144892|4.910217|5.516925|8.853648|17.680094|12.283413|0.222814|7.170217|7.345109|6.884500|7.652390|6.054794|15.121969|4.203165|3.679251|4.004757|2.867012|4.604405|2.357447|2.101363|2.137672|0.059202|2.479385|1.870965|1.730361|1.558692|1.504225|1.594011|1.777444|1.499003|3.175127|3.573215|3.160188|1.445636|3.352701|2.990152|3.175034|0.096239|0.106731|0.110943|0.108039|0.127894|0.139431|0.123618|0.215586|0.216398|0.299997|0.500000| |7.632330|7.175273|0.176896|4.688718|3.883315|4.152117|5.599578|12.431566|0.223721|17.712870|8.842405|5.605419|5.658075|3.629059|6.741168|2.883789|2.496136|2.982089|2.265013|3.600753|1.983951|1.769820|1.718766|0.047110|1.897692|1.531420|1.414823|1.294534|1.267946|1.349980|1.486952|1.297363|2.743276|3.100566|2.796014|1.203519|2.738906|2.524977|2.668004|0.149306|0.252684|0.202594|0.112385|0.124764|0.101531|0.090098|0.096913|0.110754|0.144858|0.145259|0.500000| |5.711792|6.898958|0.209320|4.582673|4.192243|4.606963|7.022329|12.407933|0.182264|17.596625|8.688325|7.201620|6.392929|3.994584|7.481234|3.070682|2.621799|3.102257|2.360038|3.797587|2.051087|1.807943|1.773706|0.049343|1.955318|1.567885|1.460237|1.328126|1.286697|1.358558|1.499761|1.290817|2.731173|3.056910|2.775641|1.242007|2.843504|2.591143|2.766368|0.124728|0.177028|0.137409|0.109915|0.112858|0.116599|0.094243|0.111034|0.113406|0.213522|0.177588|0.303016|0.500000| |4.163968|4.712605|0.116803|3.894663|3.736626|4.750190|6.558884|10.104651|0.226778|8.809470|17.594850|8.863763|10.077598|6.865144|13.255249|4.705727|3.842549|4.283187|3.208929|5.362617|2.629779|2.303688|2.249119|0.060934|2.592887|1.948591|1.761917|1.583271|1.546786|1.668928|1.880429|1.585732|3.315042|3.831719|3.370725|1.446849|3.297816|2.999964|3.181789|0.094009|0.114005|0.121511|0.089847|0.109633|0.094213|0.089349|0.115253|0.137064|0.147668|0.230891|0.192832|0.176243|0.500000| |4.085308|4.190113|0.108485|3.311581|3.056291|3.538942|4.682996|7.771654|0.158923|8.911198|17.579083|8.873529|9.154384|5.167980|8.634088|3.948533|3.191173|3.787129|2.980523|5.000563|2.546333|2.198821|2.085910|0.056749|2.317702|1.812345|1.643982|1.482373|1.449838|1.561718|1.752584|1.490672|3.106048|3.582962|3.213651|1.359463|3.070961|2.828687|3.018555|0.092206|0.122036|0.117295|0.080138|0.091525|0.080045|0.073883|0.087801|0.098254|0.119104|0.144600|0.234179|0.189842|0.305504|0.500000| |3.238394|3.565578|0.101435|2.896500|2.862881|3.330143|4.498132|6.223516|0.114554|6.429321|8.823211|17.593674|12.633710|5.804574|8.981018|4.321159|3.343858|3.993162|3.235640|5.636576|2.758008|2.298055|2.195519|0.061592|2.396651|1.874468|1.724232|1.536525|1.474094|1.564770|1.762676|1.465252|3.051254|3.458490|3.162136|1.422628|3.230753|2.931409|3.198513|0.076890|0.096840|0.086560|0.071561|0.076263|0.079019|0.069047|0.087759|0.087162|0.128913|0.142096|0.147218|0.191886|0.175119|0.222301|0.500000| |3.442984|4.151139|0.118726|3.431452|3.587940|4.488722|6.689581|7.791519|0.137327|7.001333|8.769987|17.591202|12.554792|7.214325|12.919642|4.750943|3.750567|4.232254|3.245216|5.550035|2.674817|2.275778|2.254425|0.063539|2.534173|1.928177|1.783489|1.587222|1.515825|1.601717|1.802343|1.491733|3.127183|3.520916|3.180906|1.473607|3.389316|3.027188|3.287805|0.081638|0.097865|0.090958|0.082188|0.088614|0.099201|0.084443|0.120461|0.112941|0.196147|0.235564|0.142528|0.208713|0.200540|0.174361|0.303871|0.500000| |2.535658|2.759503|0.075646|2.413108|2.447741|2.919006|3.610138|4.736932|0.094530|4.168452|5.994471|8.942027|26.029316|9.455794|10.883315|7.696388|4.977324|5.936140|5.258281|11.105487|4.113806|3.177399|2.953610|0.082268|3.272506|2.399882|2.146550|1.864468|1.779349|1.916217|2.223735|1.766748|3.612911|4.189792|3.793417|1.690538|3.810462|3.435541|3.796704|0.061748|0.072814|0.070608|0.059741|0.065781|0.066121|0.061155|0.079479|0.080145|0.097254|0.120839|0.101465|0.111743|0.156320|0.162248|0.230224|0.186220|0.500000| |2.046096|2.287914|0.060907|2.236358|2.424012|3.005281|3.142462|3.759770|0.079715|2.718276|3.256732|3.546670|6.074282|6.405796|11.463853|8.616347|17.831658|12.114738|5.934543|7.892573|4.159351|3.890600|4.469539|0.118283|6.731143|3.594362|3.112185|2.628291|2.492679|2.722665|3.266790|2.420307|4.973794|5.834416|4.863227|2.301355|5.372966|4.572605|4.898523|0.051659|0.055129|0.058285|0.055193|0.063096|0.063494|0.064190|0.087923|0.088527|0.079918|0.104923|0.067620|0.070867|0.103015|0.082830|0.084720|0.098517|0.114573|0.500000| |1.631289|1.710632|0.046509|1.596223|1.626548|1.853059|2.039900|2.691842|0.055785|2.143424|2.584017|2.880261|4.942312|3.681128|5.401247|4.796067|4.474345|7.885881|9.009644|9.536693|17.595714|8.763904|5.497713|0.142724|4.878741|4.039180|3.316205|2.736490|2.607914|2.921623|3.654742|2.593902|4.989786|6.059580|5.706374|2.342176|4.996803|4.656833|5.341592|0.041489|0.046018|0.046298|0.040793|0.044592|0.043836|0.042660|0.051681|0.052521|0.054715|0.063747|0.056259|0.057443|0.073551|0.073446|0.078309|0.073271|0.117093|0.100492|0.500000| |1.560794|1.660261|0.045609|1.560588|1.616610|1.844997|2.017915|2.598301|0.053192|2.042841|2.416404|2.774222|4.710701|3.598741|5.358428|4.736428|4.620508|8.454618|9.020069|8.904801|17.531756|8.830421|6.655246|0.204947|5.361412|4.531878|3.886428|3.061065|2.771010|2.980575|3.717696|2.538945|4.953390|5.736290|5.509712|2.653552|5.719633|5.125905|6.186132|0.039906|0.043874|0.043823|0.039964|0.043207|0.043970|0.042490|0.052343|0.051729|0.054830|0.063043|0.052944|0.055644|0.068389|0.066806|0.075335|0.073034|0.109214|0.104358|0.303820|0.500000| |1.499381|1.572985|0.042341|1.504465|1.543068|1.754777|1.867003|2.448314|0.051541|1.881165|2.210606|2.359438|3.900122|3.110600|4.873134|4.033281|4.428076|8.454763|6.656777|6.492114|8.834481|17.534167|8.798531|0.174280|6.965402|6.652526|4.590267|3.697783|3.671051|4.517769|6.519692|3.857291|6.934304|9.216676|8.227891|2.917961|6.055502|5.758795|6.376442|0.038470|0.041647|0.042943|0.038519|0.042540|0.041211|0.041124|0.049236|0.050613|0.049407|0.057913|0.049626|0.049867|0.064904|0.061904|0.062441|0.061573|0.085534|0.105886|0.217389|0.173955|0.500000| |1.379787|1.449531|0.039453|1.384652|1.426217|1.606559|1.711231|2.231575|0.046352|1.720879|1.990722|2.167174|3.520839|2.740133|4.307760|3.447052|3.674048|6.748558|5.558385|5.637611|8.842747|17.582266|8.812992|0.210811|5.510401|6.945396|5.289076|4.093597|3.811466|4.321711|5.792648|3.527357|6.482006|7.759233|7.816609|3.275729|6.617060|6.307577|7.536711|0.035597|0.038513|0.039127|0.035694|0.038789|0.038507|0.038010|0.045395|0.045705|0.046000|0.052609|0.045358|0.046355|0.057279|0.055541|0.058411|0.057272|0.078060|0.089084|0.205998|0.219112|0.303398|0.500000| |1.590640|1.730685|0.046725|1.699428|1.816310|2.122853|2.188055|2.711701|0.056795|1.994378|2.300269|2.502261|4.104422|3.641435|6.122600|4.811925|6.968197|12.499342|5.796669|6.136828|4.893202|5.517247|8.797948|0.219938|17.605002|6.791245|5.521676|4.177936|3.754910|4.096698|5.323197|3.289163|6.582845|7.600791|6.358363|3.409999|7.962942|6.406643|7.032523|0.040934|0.043334|0.045114|0.043112|0.047783|0.048492|0.048896|0.061918|0.061346|0.057678|0.068916|0.051118|0.053190|0.069116|0.060950|0.063671|0.068992|0.083775|0.195875|0.108758|0.124341|0.140345|0.123363|0.500000| |1.612120|1.726629|0.046107|1.686619|1.767063|2.054023|2.129626|2.713129|0.057699|2.012739|2.352428|2.486889|4.108279|3.582206|5.913573|4.768957|6.538251|12.472153|6.177343|6.346355|5.362110|6.650150|8.792131|0.174539|17.576019|7.036017|4.909943|3.928850|3.862454|4.691907|6.694506|3.903083|7.425288|9.683602|7.449212|3.086465|6.828827|6.021456|6.349761|0.041349|0.043990|0.046291|0.042757|0.047992|0.046704|0.047525|0.058559|0.060242|0.055426|0.066949|0.052259|0.052878|0.071470|0.063634|0.063371|0.066657|0.084813|0.172324|0.123891|0.122924|0.199016|0.138978|0.302166|0.500000| |1.253609|1.340038|0.036707|1.311924|1.386059|1.556649|1.605824|2.032690|0.041954|1.515924|1.695513|1.846104|2.891455|2.337542|3.903697|2.811967|3.242553|5.420019|3.607980|4.012106|3.939297|4.888928|7.025153|0.231049|5.138195|8.930082|17.717881|8.938524|5.655945|4.973521|5.663243|3.570298|7.190561|7.185463|7.236320|7.170801|15.104011|10.866926|15.895127|0.032716|0.034539|0.035246|0.033979|0.036568|0.037674|0.037492|0.045137|0.044082|0.043479|0.048869|0.039559|0.041264|0.049094|0.045859|0.049054|0.050944|0.060957|0.086642|0.091298|0.113514|0.114771|0.138165|0.150675|0.122233|0.500000| 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