Version2.4 2021-06-06T20:41:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)[O-] C09460855 RHF 6-31G(d) (6D,7F) CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)[O-] C01[X(C27H24N3O6)] 174 C1 588 CC(COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])Cc1cccnc1)C CC(COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])Cc1cccnc1)C CC(C)COc1ccc(cc1)C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c4cccc(c4)[N+]([O-])=O InChIKey=DBPSYQQBFACKLX-XMMPIXPASA-M InChI=1S/C27H25N3O6/c1-17(2)16-36-22-10-8-19(9-11-22)25(31)23-24(20-6-3-7-21(13-20)30(34)35)29(27(33)26(23)32)15-18-5-4-12-28-14-18/h3-14,17,24,32H,15-16H2,1-2H3/p-1/t24-/m1/s1 InChI=1/C27H25N3O6/c1-17(2)16-36-22-10-8-19(9-11-22)25(31)23-24(20-6-3-7-21(13-20)30(34)35)29(27(33)26(23)32)15-18-5-4-12-28-14-18/h3-14,17,24,32H,15-16H2,1-2H3/p-1/t24-/m1/s1/fC27H24N3O6/h32h/q-1 CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)[O-] C01[X(C27H24N3O6)] 174 C01 588 CC(COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])Cc1cccnc1)C CC(CO[C]1[CH][CH][C]([CH][CH]1)[C]([C]1[C](=O)C(=O)N([C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])C[C]1[CH][CH][CH][N][CH]1)=O)C CC(C)CO[C]1[CH][CH][C]([CH][CH]1)C(=O)[C]2[C@@H]([C]3[CH][CH][CH][C]([CH]3)N([O])[O])N(C[C]4[CH][CH][CH][N][CH]4)C(=O)C2=O InChIKey=FDFLXCGKNCPHGU-XMMPIXPASA-N InChI=1S/C27H24N3O6/c1-17(2)16-36-22-10-8-19(9-11-22)25(31)23-24(20-6-3-7-21(13-20)30(34)35)29(27(33)26(23)32)15-18-5-4-12-28-14-18/h3-14,17,24H,15-16H2,1-2H3/t24-/m1/s1 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7.3001 7.3096 7.3125 7.3616 7.4207 7.4398 7.4469 7.4553 7.5641 7.6103 0.3307 0.7114 0.2664 1.1359 2.1006 1.0656 0.2951 0.1350 0.8648 3.7051 2.0264 2.0709 0.4183 2.9526 1.3716 2.1251 2.9126 2.9351 2.5761 0.9697 2.4948 0.1060 0.5608 0.7733 1.6314 1.6309 4.1333 1.9274 0.9692 1.1778 2.8914 1.6453 2.4315 6.6626 0.8134 1.9924 4.7693 1.3215 4.2231 2.8717 0.6833 1.2095 4.1173 4.7003 21.6282 6.5384 9.9223 2.3889 16.5529 11.2351 15.8079 5.8855 27.3941 13.2189 14.8904 27.3322 2.5906 28.7719 47.4796 44.8077 15.2311 14.9306 25.6131 33.9413 11.4722 27.4626 19.0981 8.6809 21.9317 19.7302 21.3576 23.4148 7.0387 0.8610 2.7790 3.4928 1.2834 17.4441 4.7911 1.1388 1.3512 21.8946 19.6860 12.7520 4.3815 4.4830 5.8585 9.0320 0.5419 0.8013 3.1370 5.4505 34.2584 29.8148 11.0929 7.4253 20.2746 30.2362 32.9888 0.6310 32.2239 52.2980 1.1237 34.4902 1.7659 29.4516 12.0413 6.5987 13.9735 6.6895 66.6507 309.0689 203.4404 196.5939 13.2795 6.5700 56.2473 11.4964 34.8869 9.0260 1.7663 250.7865 484.3430 4.4927 37.1064 2.6522 141.1898 213.2879 336.4385 2.6833 297.9000 1.4519 29.7435 2.2200 3.4375 19.2192 2.0103 13.7331 39.8239 42.4151 10.1377 60.7882 145.3274 12.9834 14.5551 493.5076 71.6396 284.5919 744.0538 607.9946 11.6495 29.4735 51.7197 52.4395 16.6852 26.7117 40.1111 15.0906 120.0374 71.4737 30.8374 6.9662 8.7107 46.2938 28.3129 17.6774 0.3700 11.2001 25.1043 23.9162 5.3450 4.6085 0.3959 0.9145 0.8573 2.0435 2.2957 0.5623 1.4680 1.6406 3.2163 4.7584 1.7933 0.7943 2.2845 7.1402 0.8223 0.2618 1.1622 1.4463 0.6970 1.4536 1.1743 3.3038 2.6153 4.2561 0.8474 0.6226 1.4165 0.5985 2.8643 2.5010 1.8556 3.1188 0.5239 1.5430 1.5846 2.3475 1.5906 0.5449 1.4591 0.4309 0.8103 0.4681 0.3035 1.6419 0.9016 1.6055 0.3317 0.7059 2.2357 0.8568 1.7853 2.8995 4.8276 3.3696 4.8053 4.8222 0.9593 2.5709 0.3869 0.7464 2.8785 1.3847 5.8895 2.2547 11.2431 9.0694 3.4338 2.9280 3.3515 11.6340 2.2970 10.4901 10.4881 1.7575 1.3563 2.1958 4.2082 3.4463 5.7529 0.3640 9.5052 1.2695 1.4005 2.6420 8.4697 18.3315 2.5687 0.4202 0.2092 12.7858 0.4940 0.7661 12.5772 2.5083 2.7072 8.5713 0.7902 0.8417 6.6538 2.5671 13.7884 6.9348 2.5815 8.3490 1.2320 3.2736 5.6514 27.5878 8.8750 12.0143 2.2523 7.9144 12.9975 56.0396 6.5278 8.1389 1.6899 1.0340 4.3062 8.8447 5.7953 0.8672 8.7185 7.8663 19.9766 2.0186 6.0918 2.7619 3.2728 5.1359 10.8046 6.1600 110.2879 10.9309 18.2984 20.2664 31.3906 1.6479 11.5701 0.9549 5.0009 1.9232 4.8477 30.0250 22.0354 8.3655 27.0177 75.9807 79.7539 1.4935 64.7334 45.2830 16.4092 2.2668 32.8484 262.8823 74.8837 10.2477 57.7219 23.0273 89.1574 117.2897 52.3971 52.8918 111.3553 46.2652 4.8057 94.5015 106.6905 13.6586 185.1174 8.3060 162.0528 66.3313 23.5339 92.9511 0.7278 0.7444 0.7284 0.7153 0.6818 0.7353 0.7499 0.7460 0.7258 0.7464 0.7499 0.7316 0.6988 0.6956 0.4072 0.7014 0.7483 0.7408 0.6193 0.6934 0.1771 0.7488 0.5178 0.7158 0.5983 0.7301 0.4551 0.4783 0.6787 0.4487 0.7252 0.2134 0.2486 0.4408 0.6867 0.7216 0.0904 0.6829 0.4107 0.7500 0.5894 0.3181 0.7388 0.7500 0.6364 0.3252 0.7414 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0.8560 0.8511 0.7649 0.8189 0.3009 0.8564 0.6823 0.8344 0.7487 0.8440 0.6255 0.6471 0.8086 0.6195 0.8407 0.3517 0.3982 0.6119 0.8143 0.8383 0.1658 0.8116 0.5823 0.8571 0.7417 0.4827 0.8498 0.8571 0.7778 0.4908 0.8515 0.8198 0.8567 0.7387 0.6924 0.6946 0.5670 0.2271 0.4317 0.8197 0.7277 0.5877 0.3109 0.5769 0.8543 0.4511 0.1531 0.1429 0.8153 0.2790 0.4022 0.1619 0.3719 0.2747 0.3456 0.1973 0.7841 0.8127 0.8563 0.5250 0.8571 0.7496 0.8163 0.8561 0.8332 0.8566 0.3232 0.1854 0.4979 0.8334 0.7628 0.1700 0.8548 0.8019 0.2798 0.8571 0.4828 0.3287 0.8566 0.7697 0.4780 0.5204 0.4739 0.6501 0.8569 0.3493 0.4755 0.8571 0.7971 0.1742 0.3903 0.2406 0.7682 0.8252 0.1734 0.5369 0.6982 0.6656 0.6106 0.6267 0.7930 0.8565 0.8559 0.3513 0.8467 0.3612 0.8302 0.8571 0.4213 0.7594 0.4913 0.8549 0.2398 0.8457 0.4099 0.8554 0.7005 0.8517 0.8473 0.8511 0.2705 0.8156 0.7319 0.7226 0.6551 0.8065 0.8546 0.8228 0.6784 0.8470 0.5295 0.7069 0.4482 0.4880 0.5529 0.8236 0.3076 0.0618 0.8548 0.7842 0.1449 0.7949 0.6359 0.7989 0.7726 0.5739 0.6172 0.8484 0.7580 0.6184 0.6880 0.5093 0.2451 0.6137 0.2573 0.2881 0.3820 0.3979 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 6 6 6 6 8 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 7 8 8 6 6 6 6 6 7 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 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 13898.8347 26021.2665 27319.0873 0.99973 0.00429 0.02265 -0.00710 0.99208 0.12540 -0.02194 -0.12553 0.99185 1 0.00623 0.00333 0.00317 0.12985 0.06936 0.06606 13.89 20.93 26.06 34.95 43.38 50.93 58.48 65.15 76.57 91.07 104.13 111.28 135.17 145.13 177.20 191.24 217.89 243.01 274.25 284.30 302.99 324.51 340.41 341.53 382.01 389.76 409.86 439.85 482.99 495.68 501.58 524.91 541.77 567.33 618.92 641.97 649.23 663.79 668.65 676.11 689.05 731.57 770.89 779.70 827.53 836.97 853.92 881.36 898.52 979.03 988.72 995.83 1008.76 1034.55 1068.10 1093.17 1130.97 1139.85 1146.53 1209.78 1229.36 1250.91 1260.73 1266.23 1276.04 1309.95 1320.03 1327.61 1327.86 1330.64 1333.35 1376.55 1444.70 1459.87 1466.21 1481.31 1508.33 1510.46 1517.29 1547.49 1549.95 1553.01 1568.45 1570.47 1582.67 1585.23 1602.90 1607.72 1619.03 1628.19 1659.66 1678.75 1712.40 1718.37 1722.85 1724.44 1759.77 1791.24 1803.65 1806.49 1842.69 1861.60 1873.34 1874.66 1882.45 1891.95 1902.81 1918.44 1921.40 1932.44 1949.49 1979.44 2020.17 2037.09 2065.51 2085.57 2096.48 2106.89 2149.11 2161.18 2172.94 2196.80 2210.76 2239.74 2254.58 2258.82 2282.01 2287.54 2304.01 2308.06 2349.33 2353.63 2354.98 2357.26 2372.25 2379.99 2384.04 2387.26 2407.73 2434.53 2546.42 2557.03 2575.68 2576.96 2603.67 2610.89 2614.73 2667.68 2798.32 2821.54 4579.73 4590.02 4597.09 4601.12 4612.35 4648.45 4649.16 4666.56 4686.34 4692.79 4744.11 4754.27 4821.31 4832.76 4852.67 4853.44 4855.00 4863.86 4872.38 4887.42 4889.73 4892.31 4932.97 4943.16 0.504671 0.534814 0.535759 0.436832 -1648.366928 -1648.336784 -1648.335840 -1648.434766 3.317994D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)[O-] C09460855 RHF 6-31G(d) (6D,10F) C1 486.166511 |X|Y|Z| 59.151526 64.996828 104.727040 73.842374 25 6 7 23 2 |36.858105| |12.441690|36.858105| |7.536190|12.450501|36.858105| |7.613902|12.497854|7.542584|36.858105| |5.120343|8.023248|6.577630|13.609833|73.516695| |3.907892|5.200636|4.560558|7.984487|24.976914|36.858105| |3.154259|4.067252|3.828046|5.250407|14.534002|13.671496|36.858105| |2.625554|3.189412|3.025546|3.983636|9.404037|7.937788|13.843258|36.858105| |2.528162|2.958309|2.752850|3.769211|8.151701|6.799925|7.882819|13.647525|36.858105| |2.874970|3.328963|3.001349|4.500577|9.224123|7.944739|6.914392|8.013518|13.788918|36.858105| |3.632443|4.387990|3.794300|6.701422|13.966006|13.774494|7.941955|6.888532|7.857487|13.672727|36.858105| |2.110338|2.394045|2.264083|2.905340|5.971223|4.409647|5.023662|7.583879|12.532596|7.459906|4.965159|36.858105| |1.954746|2.219263|2.152004|2.628497|5.421699|3.857721|4.543086|6.652287|8.201271|5.482268|4.098927|15.706804|73.516695| |1.977783|2.188755|2.038022|2.625732|5.181640|3.664650|3.914526|5.173568|7.501232|6.085958|4.251133|13.290863|14.385562|36.858105| |1.735277|1.889456|1.779963|2.210836|4.275426|2.896549|3.065323|3.833996|4.928535|4.301243|3.279667|7.549929|11.434734|13.473821|36.858105| |1.672705|1.791458|1.666701|2.078250|3.927736|2.598541|2.671279|3.175439|3.931739|3.701032|2.954511|5.074796|7.667341|8.086232|12.359617|36.858105| |1.527475|1.618623|1.513823|1.850557|3.457407|2.238657|2.287207|2.651211|3.162198|3.030447|2.512397|3.902748|6.238553|5.410340|7.716766|15.865051|73.516695| |1.827355|1.957913|1.789004|2.295328|4.323234|2.879450|2.914954|3.425364|4.287992|4.163289|3.320169|5.121274|7.267696|8.180722|8.153845|14.029447|14.926817|53.358707| |2.075834|2.271053|2.058199|2.735946|5.278828|3.676635|3.748783|4.587276|6.228569|5.893904|4.348464|7.276493|9.086130|12.532880|7.912580|8.079046|9.661606|17.793123|36.858105| |2.271263|2.467722|2.201015|3.038900|5.734908|4.019154|3.862703|4.510704|6.259074|6.963781|5.078437|6.297952|8.033758|8.665288|6.030093|6.242363|8.238222|12.515618|17.533487|0.500000| |2.125522|2.352084|2.110037|2.797134|5.499537|3.778649|3.985223|4.774610|5.697051|5.127609|4.160262|5.890507|7.943278|7.406545|5.388130|5.478121|7.451821|10.584848|12.437428|0.249990|36.858105| |1.907468|2.114438|1.934174|2.442143|4.851328|3.242054|3.585064|4.331122|4.726245|4.009343|3.378729|5.232622|7.730208|6.180687|5.072664|5.027573|7.144622|8.410008|7.489255|0.155769|13.661835|36.858105| |1.879709|2.086923|1.907202|2.356624|4.688570|3.029551|3.376499|3.859126|3.882453|3.377600|3.024957|4.005151|6.268960|4.321042|3.725574|3.722442|5.652143|5.953755|4.981983|0.116623|7.868829|13.778527|36.858105| |2.051973|2.279976|2.042992|2.560024|5.061176|3.198271|3.475944|3.734770|3.666508|3.343273|3.138407|3.512292|5.465294|3.683758|3.135089|3.170545|4.891855|5.166939|4.387860|0.110829|6.779351|7.927791|13.745904|36.858105| |2.330490|2.586743|2.253755|2.979652|5.817746|3.717720|3.848992|4.025143|4.085442|3.925598|3.742093|3.708077|5.558178|3.919303|3.217550|3.287416|5.002052|5.598113|4.999636|0.134122|7.950509|6.971857|8.040459|13.809927|36.858105| |2.386429|2.641725|2.299866|3.161071|6.139399|4.132316|4.161584|4.559134|5.095040|5.031340|4.485422|4.603732|6.486416|5.131120|3.961248|4.075370|5.938931|7.462783|7.507672|0.206689|13.776070|7.988383|6.877459|7.859590|13.723247|36.858105| |2.558890|2.807057|2.380600|3.158338|5.973003|3.599732|3.556921|3.466908|3.432579|3.468068|3.543387|3.030682|4.659843|3.122121|2.634764|2.698330|4.223881|4.457312|3.820605|0.108570|5.120494|4.548645|5.146625|7.805739|13.086527|7.776268|53.358707| |2.413714|2.640091|2.271609|2.856413|5.408879|3.155258|3.184795|3.068559|2.949169|2.924420|3.013427|2.647461|4.186282|2.688706|2.325499|2.367556|3.770511|3.791169|3.153008|0.087921|4.077827|3.911458|4.678566|7.085608|8.362356|5.412533|21.664223|73.516695| |2.860135|3.076346|2.530629|3.512212|6.359260|3.771380|3.511470|3.343412|3.396477|3.625351|3.829717|2.941044|4.489142|3.037979|2.561834|2.641299|4.148449|4.384307|3.755160|0.112455|4.671090|3.916858|4.101410|5.428605|8.362551|7.062748|21.686984|16.044486|73.516695| |1.774957|1.868533|1.691591|2.160455|3.976863|2.570495|2.545735|2.859000|3.410302|3.458172|2.933873|3.757051|5.580293|5.110890|5.108197|7.769467|11.991599|17.998503|7.466840|0.190286|6.136654|5.049608|3.973930|3.640802|4.009425|5.111901|4.513146|5.017245|5.896383|36.858105| |1.855862|1.919842|1.723466|2.229016|3.993930|2.550138|2.438285|2.661282|3.183989|3.432189|2.984838|3.344879|5.000920|4.279943|4.170692|5.616107|9.220456|10.427892|5.852683|0.179379|4.748858|3.820527|3.184812|3.080876|3.519327|4.441547|4.227117|4.688843|5.808794|12.550973|36.858105| |2.009649|2.051565|1.808893|2.379206|4.175313|2.619493|2.445993|2.587979|3.026240|3.361575|3.062933|3.010949|4.522847|3.626102|3.371002|4.118471|6.739361|7.358148|4.896306|0.158868|4.402342|3.504198|3.059092|3.114050|3.702656|4.590056|4.673175|5.108005|6.717373|7.496731|13.780006|36.858105| |2.033672|2.030550|1.788440|2.337369|3.996838|2.457111|2.250477|2.333082|2.695970|3.063356|2.882812|2.638908|4.042597|3.054963|2.872068|3.361316|5.654480|5.522536|3.820359|0.124670|3.433155|2.826485|2.527983|2.596692|3.046506|3.621103|4.017048|4.494232|5.895904|5.005734|7.959111|13.726198|36.858105| |1.892219|1.885424|1.688491|2.161826|3.700959|2.277157|2.095876|2.189523|2.546755|2.884147|2.680574|2.544720|3.952134|2.945168|2.859854|3.346977|5.795450|5.190448|3.502003|0.112283|3.023344|2.547267|2.259879|2.270505|2.590395|3.055180|3.375389|3.849542|4.842670|4.496890|7.004040|8.025600|13.811566|36.858105| |1.765127|1.783258|1.619269|2.048379|3.571429|2.228143|2.086588|2.225941|2.626833|2.917539|2.623310|2.719442|4.234155|3.235918|3.265815|3.958300|7.046829|5.912009|3.771309|0.117846|3.110054|2.646148|2.299477|2.250920|2.518932|2.999144|3.192410|3.657911|4.466998|5.054817|7.949441|6.891827|8.004426|14.384055|53.358707| |1.753003|1.799722|1.635920|2.079073|3.697573|2.345839|2.235436|2.436495|2.919357|3.167369|2.757284|3.114743|4.770735|3.907559|4.021814|5.315132|9.426294|8.228458|4.749761|0.144625|3.747660|3.151638|2.660096|2.550824|2.842437|3.468564|3.486138|3.958468|4.791155|7.522206|13.650532|8.042233|7.054135|8.411873|19.672097|36.858105| |1.606377|1.745474|1.669209|2.015060|3.893469|2.594410|2.768614|3.418876|4.173260|3.637447|2.874465|6.164217|11.053922|7.883731|15.778974|7.980471|11.729421|7.493820|5.286006|0.122553|4.088768|4.059588|3.180723|2.699318|2.715919|3.197842|3.104742|3.651489|3.939533|3.981223|3.398839|2.818508|2.479331|2.513700|3.907968|3.408966|73.516695| |17.547153|8.782972|6.897351|5.515845|7.477984|3.300404|2.784527|2.347540|2.242306|2.490706|3.042712|1.904711|3.169340|1.790247|1.587311|1.533619|2.506282|2.266415|1.870763|0.056190|1.925742|1.753214|1.743950|1.902789|2.128619|2.147463|3.191080|4.008710|4.590686|1.624055|1.689092|1.822282|1.843453|1.721454|2.192163|1.599433|2.629543|0.500000| |17.540080|8.744571|5.473734|6.931433|8.449583|3.797575|3.061402|2.588459|2.530997|2.905340|3.642979|2.120586|3.452773|2.018257|1.768501|1.725334|2.800854|2.593326|2.158971|0.066160|2.223350|1.976864|1.951527|2.154424|2.484632|2.540562|3.792267|4.637859|5.686608|1.872442|1.974126|2.173230|2.211209|2.029395|2.542939|1.849690|2.888469|0.301732|0.500000| |17.517709|8.759593|6.797426|6.866396|8.304317|3.724484|2.994325|2.536949|2.485940|2.863798|3.597367|2.088905|3.450001|1.958672|1.728113|1.662865|2.707227|2.455536|2.039171|0.062293|2.047723|1.832270|1.784690|1.921964|2.174486|2.264617|3.187265|3.897151|4.638668|1.748567|1.844584|1.988244|2.035607|1.919525|2.439831|1.764342|2.855799|0.301839|0.301201|0.500000| |8.899360|17.524867|8.908246|9.010035|13.223241|4.957192|4.079306|3.181608|2.892938|3.169558|4.063131|2.353186|3.876448|2.160731|1.863723|1.774692|2.849836|2.654201|2.261611|0.067559|2.399723|2.177342|2.187680|2.431315|2.754001|2.735204|4.165985|5.208103|5.916827|1.869066|1.900313|2.036558|1.993715|1.832479|2.358414|1.762112|3.053051|0.212271|0.213092|0.173255|0.500000| |5.483781|8.783058|17.597847|6.895219|13.160631|5.058852|4.425752|3.383529|2.970373|3.154449|3.959257|2.418759|4.125148|2.137701|1.856463|1.717911|2.761409|2.500340|2.130842|0.062639|2.197972|2.032047|2.007543|2.138811|2.335642|2.375196|3.309921|4.136591|4.510385|1.718267|1.729315|1.797017|1.755907|1.658792|2.184893|1.637081|3.102687|0.140777|0.122554|0.139423|0.213092|0.500000| |6.870428|8.786084|17.532081|5.488102|8.759675|3.674937|3.226889|2.627162|2.398249|2.573407|3.138011|2.018048|3.433945|1.836032|1.622367|1.529522|2.487738|2.227299|1.858737|0.054806|1.915801|1.775965|1.768320|1.898245|2.071813|2.085204|3.003814|3.804676|4.146812|1.559441|1.586753|1.667461|1.653100|1.561993|2.036397|1.508136|2.717972|0.206461|0.140584|0.168037|0.213257|0.301004|0.500000| |6.838747|8.779019|17.513503|6.794404|10.189988|4.288083|3.569519|2.901409|2.701148|2.985937|3.749472|2.239240|3.799725|2.015638|1.770968|1.654185|2.678489|2.399636|2.018196|0.060233|2.029849|1.853855|1.806453|1.911653|2.106371|2.183906|2.987843|3.694324|4.161167|1.663541|1.707693|1.784647|1.780047|1.699161|2.223133|1.638905|2.967170|0.170157|0.139483|0.201931|0.173490|0.301351|0.301375|0.500000| |6.858493|8.839060|6.894462|17.505914|16.527034|7.035870|4.744107|3.784249|3.716951|4.577888|6.774297|2.898753|4.688687|2.615728|2.220067|2.077051|3.298706|3.087476|2.683037|0.083463|2.653768|2.311985|2.195225|2.336986|2.692447|2.919739|3.794413|4.474391|5.484948|2.125780|2.219643|2.350614|2.342731|2.205883|2.855308|2.107244|3.620466|0.140255|0.168695|0.202944|0.174914|0.171461|0.140422|0.203570|0.500000| |7.072095|8.838378|5.493857|17.533431|16.576585|7.158340|4.836542|3.848892|3.778253|4.634612|6.819146|2.931712|4.616967|2.723034|2.281369|2.182701|3.446708|3.343618|2.935549|0.092353|3.027179|2.586936|2.494746|2.756557|3.311012|3.540280|4.902802|5.653592|7.448065|2.344626|2.447092|2.670380|2.627403|2.381927|3.023598|2.251100|3.648392|0.143143|0.212655|0.173421|0.214602|0.140398|0.123097|0.139869|0.300856|0.500000| |3.112003|4.092544|4.002294|4.870911|13.471062|8.952319|17.722761|8.893831|5.609093|4.974021|5.663880|4.093685|6.917367|3.300293|2.686174|2.369904|3.667025|3.483022|3.174435|0.089389|3.445379|3.234877|3.171603|3.302071|3.536477|3.620499|4.568745|5.545890|5.790178|2.273606|2.171098|2.186604|2.023963|1.887166|2.550514|1.997040|4.394089|0.077927|0.082691|0.080802|0.117796|0.134370|0.095058|0.100635|0.119415|0.121530|0.500000| |2.334531|2.797382|2.711869|3.328293|7.598400|5.645421|8.951965|17.735896|8.943368|5.690935|4.961906|7.126906|12.754753|4.890755|3.787214|3.089720|4.627978|4.420708|4.185753|0.109130|4.459162|4.390066|3.988829|3.719323|3.777606|4.101906|4.374444|5.196112|5.362413|2.705487|2.467242|2.371242|2.130873|2.010892|2.805349|2.267668|6.170455|0.059017|0.063792|0.062572|0.078487|0.084622|0.066778|0.072100|0.087944|0.089218|0.213936|0.500000| |2.673698|2.976897|2.687131|3.906033|7.449568|5.663387|4.974318|5.675484|8.953050|17.723121|8.946691|6.889851|9.020983|6.485792|4.693750|4.125653|5.965172|6.328666|6.443891|0.232829|4.982497|3.827741|3.163880|3.095941|3.628004|4.748491|4.374114|4.815720|6.058856|3.830637|3.941839|3.785907|3.472331|3.332803|4.656468|3.717761|6.925579|0.064647|0.075852|0.075114|0.078236|0.076855|0.064900|0.075339|0.113477|0.114130|0.107897|0.124779|0.500000| |4.049598|4.664871|3.892735|7.407401|12.459692|8.874971|5.633135|4.963421|5.629747|8.929087|17.753014|4.065663|6.109239|3.696283|2.970804|2.760611|4.246982|4.225246|3.891443|0.129734|3.663044|2.984218|2.699003|2.828774|3.390283|4.019336|4.528691|5.050057|6.627408|2.830685|2.988279|3.143381|3.058936|2.850107|3.717559|2.795874|4.664513|0.091700|0.114569|0.114483|0.115416|0.107653|0.089243|0.109428|0.228792|0.223425|0.124174|0.107737|0.217523|0.500000| |1.764305|1.947850|1.809039|2.235511|4.428714|2.949747|3.285033|4.053192|4.482613|3.723537|3.087950|5.479941|8.436799|6.738612|6.044013|5.764799|8.111478|8.675104|7.009052|0.141257|8.944605|17.736066|8.931890|5.645118|5.004737|5.679984|4.927567|5.716966|5.724492|4.898898|3.646607|3.222753|2.639465|2.442390|3.531922|3.114375|8.632810|0.045230|0.050409|0.047461|0.055250|0.052887|0.046256|0.048555|0.059608|0.064898|0.082838|0.117818|0.100597|0.076123|0.500000| |1.724710|1.908553|1.768824|2.120158|4.209440|2.674563|3.006756|3.414967|3.364900|2.916770|2.638366|3.550144|5.812671|3.759820|3.403018|3.372291|5.273600|5.113735|4.073506|0.096432|5.618136|8.929363|17.723315|8.933919|5.691327|4.954842|5.674777|7.152804|6.052353|3.443883|2.790189|2.660698|2.241954|2.034948|2.834629|2.389748|5.353973|0.044840|0.049426|0.045572|0.055596|0.051853|0.045910|0.046600|0.055135|0.061582|0.080294|0.101177|0.076275|0.065879|0.215453|0.500000| |1.983830|2.195808|1.976842|2.405881|4.726614|2.894540|3.139062|3.268314|3.126178|2.883733|2.781711|2.981851|4.774724|3.066216|2.681655|2.708123|4.280921|4.281199|3.519780|0.090904|4.908900|5.632099|8.856413|17.789285|8.936309|5.620543|9.799828|14.164308|8.840730|3.077810|2.673098|2.732254|2.334068|2.052833|2.753173|2.256053|4.207552|0.051668|0.057807|0.051282|0.065822|0.057456|0.051586|0.051057|0.060692|0.071505|0.085430|0.091529|0.074258|0.070529|0.123881|0.213440|0.500000| |2.630736|2.881963|2.452498|3.537620|6.650261|4.468346|4.182581|4.386064|5.049450|5.561189|5.136953|4.343003|6.104764|4.777501|3.710909|3.841059|5.667295|6.990602|6.935151|0.228083|8.907474|5.658685|4.959771|5.631545|8.937744|17.780790|9.808178|8.843142|14.164653|4.963495|4.756077|5.245078|4.183516|3.430775|4.455373|3.704435|5.369306|0.064793|0.078947|0.069544|0.081939|0.069384|0.061282|0.064977|0.090939|0.114050|0.099342|0.105483|0.149568|0.132441|0.124441|0.107648|0.124305|0.500000| |1.816135|1.916105|1.720997|2.203719|4.068058|2.610414|2.596322|2.881281|3.342848|3.361867|2.922617|3.561326|5.306619|4.617308|4.374213|5.876450|9.125278|12.527170|6.865160|0.174644|6.920100|5.706271|4.625482|4.329353|4.824505|6.073013|5.297262|5.807247|6.794890|17.562288|8.926247|7.269153|4.761492|4.024685|5.732105|5.595319|6.203006|0.046250|0.053539|0.049206|0.053829|0.048582|0.044192|0.046595|0.059351|0.066977|0.064888|0.075939|0.099892|0.077950|0.143640|0.108378|0.099976|0.156834|0.500000| |1.612702|1.690384|1.546203|1.926889|3.544172|2.261964|2.262007|2.533796|2.957534|2.948410|2.536525|3.318593|5.113395|4.396499|4.767427|7.576567|14.009006|12.757607|5.615400|0.140491|4.844200|4.408426|3.592854|3.237390|3.411287|4.077824|3.916839|4.483829|5.058423|17.627829|8.905426|5.821732|4.298159|4.063233|6.414846|6.862194|6.938278|0.041308|0.047039|0.044223|0.046993|0.043647|0.039847|0.042324|0.052832|0.057493|0.056884|0.067810|0.089706|0.068137|0.124898|0.089915|0.077906|0.108446|0.302623|0.500000| |2.083851|2.137082|1.865257|2.469497|4.353128|2.716931|2.546086|2.669139|3.060236|3.358458|3.117005|2.986094|4.478158|3.535019|3.205308|3.817535|6.153333|6.944123|4.874871|0.154545|4.826036|3.804547|3.402502|3.582233|4.409292|5.414104|5.627718|6.001849|8.198951|6.905470|8.910881|17.693783|8.892809|5.675807|6.751020|5.674480|4.763654|0.052541|0.063090|0.056523|0.059686|0.051539|0.047848|0.050582|0.066535|0.077869|0.063531|0.067977|0.101356|0.087933|0.093891|0.080842|0.086784|0.173660|0.220853|0.148530|0.500000| |2.131420|2.094125|1.825120|2.386657|4.009849|2.416945|2.189488|2.224989|2.519015|2.874883|2.799936|2.413467|3.730480|2.715481|2.526331|2.869982|4.825950|4.644812|3.332264|0.107759|3.122926|2.603943|2.387817|2.507280|2.962005|3.413367|4.058578|4.569018|6.108898|4.063379|5.641877|8.855150|17.724419|8.913028|7.757005|5.046864|3.926976|0.053709|0.065253|0.059105|0.057224|0.049342|0.047053|0.050329|0.066104|0.075403|0.055128|0.056362|0.088447|0.083764|0.066945|0.059016|0.063465|0.110716|0.112492|0.098806|0.212788|0.500000| |1.865004|1.832717|1.646807|2.079812|3.515484|2.131232|1.950094|2.012877|2.309227|2.620412|2.488377|2.286506|3.603667|2.578906|2.510282|2.852689|4.982971|4.296588|2.967860|0.094023|2.610896|2.238747|2.015987|2.036596|2.305606|2.660361|3.056728|3.532020|4.397985|3.586503|5.018449|5.670178|8.911462|17.693775|12.697730|5.912464|4.003448|0.047287|0.055557|0.052977|0.049207|0.044639|0.042485|0.046298|0.059421|0.063370|0.049114|0.051436|0.083193|0.074447|0.059833|0.050888|0.051756|0.082657|0.091260|0.092264|0.124152|0.213926|0.500000| 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