Version2.1 2021-01-10T20:32:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCC(CC1)C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N[C@@H](C(C)C)C(=O)OC C63626071 RHF 6-31G(d) (6D,7F) CC1CCC(CC1)C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N[C@@H](C(C)C)C(=O)OC C01[X(C25H36N3O4)] 198 C1 552 COC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C1CCC(CC1)C COC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C1CCC(CC1)C COC(=O)[C@@H](NC(=O)[C@@H](CC1=C2C=CC=CC2=[NH+]C1)NC(=O)C3CCC(C)CC3)C(C)C InChIKey=GZGJIVBCHNJFTR-KKXVOBOWSA-O InChI=1S/C25H35N3O4/c1-15(2)22(25(31)32-4)28-24(30)21(27-23(29)17-11-9-16(3)10-12-17)13-18-14-26-20-8-6-5-7-19(18)20/h5-8,15-17,21-22H,9-14H2,1-4H3,(H,27,29)(H,28,30)/p+1/t16?,17?,21-,22+/m1/s1 InChI=1/C25H35N3O4/c1-15(2)22(25(31)32-4)28-24(30)21(27-23(29)17-11-9-16(3)10-12-17)13-18-14-26-20-8-6-5-7-19(18)20/h5-8,15-17,21-22H,9-14H2,1-4H3,(H,27,29)(H,28,30)/p+1/t16?,17?,21-,22+/m1/s1/fC25H36N3O4/h26-28H/q+1 CC1CCC(CC1)C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N[C@@H](C(C)C)C(=O)OC C01[X(C25H36N3O4)] 198 C01 552 COC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C1CCC(CC1)C COC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)NC(=O)[C@@H]1CC[C@H](CC1)C COC(=O)[C@@H](NC(=O)[C@@H](CC1=C2C=CC=C[C]2NC1)NC(=O)[C@@H]3CC[C@@H](C)CC3)C(C)C InChIKey=PDIHLYYTIKFAAJ-ZYOFANERSA-N InChI=1S/C25H36N3O4/c1-15(2)22(25(31)32-4)28-24(30)21(27-23(29)17-11-9-16(3)10-12-17)13-18-14-26-20-8-6-5-7-19(18)20/h5-8,15-17,21-22,26H,9-14H2,1-4H3,(H,27,29)(H,28,30)/t16-,17-,21-,22+/m1/s1 InChI=1/C25H36N3O4/c1-15(2)22(25(31)32-4)28-24(30)21(27-23(29)17-11-9-16(3)10-12-17)13-18-14-26-20-8-6-5-7-19(18)20/h5-8,15-17,21-22,26H,9-14H2,1-4H3,(H,27,29)(H,28,30)/t16-,17-,21-,22+/m1/s1/f/h27-28H 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950.2953 951.1218 958.1418 976.2691 991.5385 1012.8796 1017.9813 1024.0528 1033.0255 1038.9503 1051.9370 1055.3704 1057.1908 1067.2916 1078.2915 1103.8475 1106.0049 1117.2879 1118.2466 1131.8225 1140.1105 1142.7070 1156.0847 1159.0409 1179.4839 1190.2692 1200.2613 1212.2942 1239.7142 1250.9682 1264.8537 1268.9849 1284.9241 1289.6942 1296.2745 1297.9385 1299.9823 1314.5493 1331.2428 1334.0705 1335.6106 1345.5563 1363.2649 1382.1806 1386.1661 1396.4397 1406.8767 1415.9925 1423.7541 1451.2348 1453.4666 1467.5211 1470.1019 1481.1013 1482.3503 1496.3038 1507.0882 1513.0788 1525.1132 1528.7317 1532.5380 1536.2835 1538.3955 1554.4841 1563.6898 1564.3448 1568.2899 1576.2372 1580.3531 1581.7342 1597.9760 1627.2630 1627.6755 1629.5294 1635.0458 1640.0878 1640.4685 1641.4284 1641.8765 1644.4659 1644.4756 1644.8120 1647.3550 1654.8959 1655.9603 1658.5061 1689.8470 1725.4020 1742.1972 1769.0539 1849.5031 1909.2652 1952.2328 1987.4890 3168.3239 3180.9174 3187.5454 3191.7777 3196.0854 3199.6162 3202.1195 3207.1483 3213.2113 3218.9139 3233.8940 3234.5490 3239.5470 3241.9394 3250.0391 3257.5551 3262.1777 3263.2389 3266.9384 3267.8679 3276.7311 3284.3267 3285.5318 3290.9021 3294.1368 3320.3245 3327.0978 3348.4511 3372.1978 3389.3222 3397.4647 3409.3317 3417.3861 3845.7001 3857.1998 3878.5650 4.4069 3.7040 4.7992 4.7457 3.9562 4.0056 3.2382 3.9627 4.1810 4.9439 5.8236 5.5073 5.1327 2.9949 5.1746 4.1205 1.2529 5.0457 3.7364 4.0703 3.3827 1.9969 1.9804 1.3844 1.9373 1.7749 1.8464 1.5872 2.4010 3.1616 3.6806 2.5521 3.3734 4.5116 4.6680 3.7380 4.0234 2.8529 2.7152 2.6730 1.8005 2.8559 3.1209 3.1020 1.5466 2.9414 2.3435 3.0455 2.3427 4.4044 1.9269 2.0194 3.2147 1.1742 4.9843 4.4460 4.8935 4.4973 3.2295 4.1346 4.7992 4.1238 4.8729 1.4172 1.4899 4.0186 2.1893 2.4804 1.5569 2.4575 4.3990 1.7087 3.1101 1.4201 1.4318 1.7737 2.2356 2.6498 1.6578 1.7371 2.5087 2.3247 2.7682 1.7368 3.0184 1.3951 2.7681 2.8401 3.2375 2.4947 1.3907 1.3894 3.9411 2.5398 1.8097 2.5276 2.0990 2.2807 1.6435 2.1369 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7.0676 7.0639 7.1399 7.3305 7.4334 7.3797 7.4163 7.5185 7.5644 9.4013 9.4517 9.5879 0.2678 0.5273 0.4293 0.8697 0.8261 0.9116 0.6904 0.8820 1.0523 1.6063 2.2825 0.5349 6.0284 2.5063 5.5277 6.2336 0.6167 1.8000 3.1125 6.3562 6.3454 11.5364 7.6596 0.0523 3.8386 5.6622 6.0118 3.5539 11.1770 4.1871 9.0050 2.9383 0.7244 24.0226 7.2040 19.2817 7.2282 25.9275 13.5877 0.7467 1.0901 25.6702 15.7968 2.8956 33.0366 5.7245 17.2290 55.5298 8.0750 14.6014 18.9351 44.1474 19.4620 92.1007 15.3489 35.4039 22.4759 12.0405 2.3543 0.5414 45.8104 8.0403 8.0231 83.1833 0.8228 8.2083 3.8179 0.9461 10.3003 7.5623 2.7606 1.0438 4.6542 3.5299 2.3220 4.2982 8.4914 5.9654 1.5336 4.9578 17.4387 8.2904 4.2982 0.9138 18.7226 4.2814 28.5316 14.1219 31.6741 13.5463 1.9347 0.2258 31.9293 4.1273 2.0864 15.0460 4.4855 8.0470 81.1104 4.2443 3.2751 12.9625 5.7263 7.0132 16.7449 1.5862 14.7517 21.5945 121.1300 32.1422 0.7474 180.9124 24.8745 5.8193 7.9088 53.8093 38.4387 20.9251 0.7668 3.7548 0.6207 39.1113 22.5750 29.3826 78.0608 12.7583 18.4316 28.7845 1.0446 134.2385 401.5998 2.8093 31.3592 62.3302 0.9276 28.4900 22.3549 7.1250 20.8963 33.9479 91.1727 0.0957 69.8452 1.4417 0.7183 6.6815 3.6717 5.5859 9.9614 5.2541 5.9261 4.3585 131.8084 14.8915 754.2756 98.3582 4.5021 97.9642 466.5576 333.7927 264.6292 220.3265 7.2394 20.9950 57.1966 23.8590 18.8546 30.8453 67.2291 16.9188 32.5186 14.7927 47.3911 1.8045 17.4341 9.8333 4.0889 16.0045 29.5182 120.4817 4.6683 45.3491 0.9492 65.9452 51.6040 38.9881 8.8892 4.2154 2.8238 21.6298 15.8382 2.0760 0.6476 1.2183 1.7411 103.8205 61.4412 192.1708 0.3741 0.2628 1.6349 4.0321 0.5459 2.0082 0.7664 0.8290 1.2087 1.2591 1.9998 1.5996 2.1637 0.1484 2.9831 0.3212 0.0953 0.3606 1.4387 0.7715 0.7091 0.3452 0.2093 0.0251 0.7959 0.1932 0.2467 0.1856 0.9056 0.3331 2.1311 0.1327 1.2517 0.6790 1.0460 0.4884 1.5667 0.8974 0.8286 0.9268 1.5199 1.6934 0.8542 1.5127 0.6529 2.8908 1.0536 8.0411 1.0169 6.0165 2.0985 2.9786 2.3255 0.5269 2.4301 3.2221 6.9483 5.8980 17.4929 3.1367 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61 62 63 64 65 66 67 68 6 6 6 6 6 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 7 1 6 6 8 7 6 1 6 6 6 6 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13332.7759 22925.9617 31095.8012 0.99967 -0.02542 -0.00458 0.02545 0.99966 0.00510 0.00445 -0.00521 0.99998 1 0.00650 0.00378 0.00279 0.13536 0.07872 0.05804 12.34 18.76 25.08 37.10 44.18 52.84 70.77 81.44 87.41 102.53 110.59 120.05 149.73 164.42 195.78 218.99 230.91 241.77 266.12 298.83 322.47 324.71 332.87 343.27 354.90 370.09 379.03 382.81 406.46 434.35 462.50 483.90 491.49 505.96 523.34 551.43 564.13 602.24 625.73 656.91 663.21 684.12 704.88 718.05 747.29 776.52 792.78 817.96 829.12 836.59 881.71 901.14 933.86 975.34 1044.28 1085.84 1139.15 1145.18 1181.16 1200.13 1200.96 1206.52 1218.55 1229.22 1245.99 1274.98 1316.68 1347.24 1367.26 1368.45 1378.55 1404.63 1426.60 1457.31 1464.65 1473.38 1486.29 1494.82 1513.50 1518.44 1521.06 1535.59 1551.42 1588.19 1591.29 1607.53 1608.91 1628.44 1640.36 1644.10 1663.35 1667.60 1697.01 1712.53 1726.91 1744.22 1783.67 1799.86 1819.84 1825.79 1848.72 1855.58 1865.05 1867.44 1870.38 1891.34 1915.36 1919.43 1921.65 1935.96 1961.43 1988.65 1994.38 2009.17 2024.18 2037.30 2048.46 2088.00 2091.21 2111.44 2115.15 2130.97 2132.77 2152.85 2168.36 2176.98 2194.30 2199.50 2204.98 2210.37 2213.41 2236.56 2249.80 2250.74 2256.42 2267.85 2273.78 2275.76 2299.13 2341.27 2341.86 2344.53 2352.47 2359.72 2360.27 2361.65 2362.29 2366.02 2366.03 2366.52 2370.18 2381.03 2382.56 2386.22 2431.31 2482.47 2506.63 2545.27 2661.02 2747.01 2808.83 2859.55 4558.51 4576.63 4586.17 4592.26 4598.45 4603.53 4607.14 4614.37 4623.09 4631.30 4652.85 4653.79 4660.99 4664.43 4676.08 4686.90 4693.55 4695.07 4700.40 4701.73 4714.49 4725.41 4727.15 4734.87 4739.53 4777.21 4786.95 4817.67 4851.84 4876.48 4888.19 4905.27 4916.86 5533.10 5549.65 5580.39 0.633521 0.664545 0.665489 0.565922 -1429.712183 -1429.681158 -1429.680214 -1429.779781 3.339494D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CC1CCC(CC1)C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N[C@@H](C(C)C)C(=O)OC C63626071 RHF 6-31G(d) (6D,10F) C1 442.270582 |X|Y|Z| 107.436429 77.446701 40.361470 69.508912 19 6 7 17 2 |36.858105| |12.463055|36.858105| |7.524706|12.421887|36.858105| |4.884958|7.487857|12.447060|36.858105| |4.335027|6.385970|7.519981|12.360826|36.858105| |4.884860|7.487266|6.458660|7.534588|12.410748|36.858105| |7.525228|12.420146|7.575707|6.457886|7.529687|12.443985|36.858105| |3.260495|4.359699|4.937402|7.644804|12.567649|7.568748|4.916264|36.858105| |3.008583|3.962865|4.251710|6.175656|7.944349|6.504686|4.353725|15.751774|73.516695| |2.800548|3.518905|4.049183|5.626001|7.804289|5.290374|3.918789|14.069124|15.194381|53.358707| |2.337262|2.833208|3.197560|4.201908|5.029879|3.900102|3.058851|7.788579|12.273069|18.017569|36.858105| |2.314414|2.817400|3.194280|4.274681|4.769013|3.744167|2.954779|7.364275|13.389270|12.561372|17.595325|0.500000| |2.094967|2.489461|2.676956|3.326315|4.039384|3.482581|2.755769|5.723364|10.079106|10.340086|12.241623|0.244707|36.858105| |2.118604|2.536317|2.638053|3.263391|3.971809|3.665696|2.835986|5.620864|11.472614|8.229734|7.464497|0.194991|12.715259|36.858105| |1.976817|2.344948|2.423454|2.962668|3.400494|3.206976|2.550915|4.572021|9.993276|6.248499|5.599821|0.168689|7.413399|14.042932|36.858105| |1.810869|2.118645|2.222900|2.692714|2.937132|2.717497|2.236607|3.807112|8.050317|5.303142|4.937806|0.159939|5.832180|7.429229|13.216388|36.858105| |1.703877|1.971780|2.042421|2.422718|2.575869|2.445722|2.055998|3.186126|6.745096|4.280952|3.724728|0.118934|4.153653|5.135926|7.955962|14.200870|36.858105| |1.719915|1.986259|2.009034|2.348879|2.510179|2.474135|2.085230|3.027538|6.503141|3.922840|3.224620|0.099733|3.595057|4.649761|6.884270|7.870068|13.174555|36.858105| |1.843734|2.146225|2.131758|2.491790|2.738471|2.779945|2.302787|3.307912|7.233933|4.188217|3.331508|0.100112|3.804059|5.292753|7.660502|6.618327|7.714346|14.066650|36.858105| |1.994509|2.358709|2.358384|2.816639|3.231304|3.247127|2.592646|4.100477|9.146125|5.228470|4.197779|0.123307|5.108342|8.431811|13.228350|7.656132|6.818457|8.074332|13.442609|36.858105| |2.134375|2.537102|2.484103|2.939257|3.524969|3.701745|2.892472|4.392429|9.495492|5.500627|4.134585|0.114619|5.082058|8.280169|8.448377|5.296544|4.656874|5.259529|7.721890|14.499284|53.358707| |2.144701|2.527394|2.413675|2.786834|3.313370|3.647137|2.906540|3.900445|8.224671|4.788812|3.476446|0.096168|4.075811|5.832039|5.923738|4.237827|3.952052|4.644474|6.818723|9.277096|26.028414|0.500000| |2.243646|2.692119|2.690476|3.242532|4.114979|4.145593|3.139788|5.417068|10.907755|7.195771|5.346836|0.136971|7.233987|12.727928|8.216956|5.083235|4.104262|4.154302|5.200008|8.377658|17.937080|0.244238|36.858105| |2.140794|2.514662|2.887384|3.604383|4.048813|3.183070|2.657727|5.233142|8.095554|10.819520|12.394070|0.244796|7.605150|4.937899|4.067309|3.900332|3.093072|2.667386|2.685869|3.206714|4.289632|0.076312|3.875955|36.858105| |2.198599|2.553312|2.954182|3.579453|4.060583|3.177245|2.716633|4.829239|7.121564|9.848888|8.010695|0.166705|5.836446|4.098729|3.373627|3.174233|2.611514|2.320538|2.367571|2.795886|3.852834|0.070069|3.483678|15.868197|73.516695| |1.900872|2.195298|2.495107|3.037004|3.249604|2.663141|2.275966|4.050039|6.738728|7.222689|7.834405|0.203604|6.129233|4.339773|3.871410|4.023262|3.211362|2.679615|2.608346|3.021201|3.897264|0.069574|3.356682|14.200103|15.031467|53.358707| |1.736993|1.962437|2.229694|2.615169|2.723883|2.277618|2.010210|3.184515|5.288745|5.376745|4.983005|0.132093|4.265909|3.282664|3.014381|3.166297|2.663983|2.265697|2.192455|2.465984|3.207076|0.058534|2.693066|7.724311|11.914703|17.787800|36.858105| |1.801739|2.025635|2.327016|2.700760|2.804965|2.320475|2.071465|3.187688|5.144829|5.429407|4.696483|0.120517|3.917808|3.038761|2.743665|2.800564|2.386308|2.076406|2.037831|2.295022|3.041749|0.056044|2.571235|7.469232|13.778279|12.532849|17.648759|0.500000| |1.552839|1.733098|1.923320|2.207204|2.332006|2.016622|1.793831|2.691378|4.548206|4.433113|4.019650|0.105117|3.870912|3.040849|2.816992|2.969244|2.528125|2.158700|2.084735|2.327736|3.031206|0.055569|2.527466|5.489073|8.983109|10.407895|12.298873|0.243907|36.858105| |1.423692|1.565312|1.733020|1.945354|2.017684|1.767064|1.603961|2.256334|3.821170|3.596348|3.082648|0.082206|2.954506|2.443276|2.304942|2.432135|2.144178|1.863887|1.796050|1.965303|2.570733|0.047863|2.101293|3.954291|6.864533|6.737222|7.442377|0.186229|12.423129|36.858105| |1.571051|1.750950|1.922048|2.190743|2.382767|2.080307|1.846468|2.737428|4.558708|4.592483|4.072212|0.100544|4.166547|3.185600|2.841847|2.867567|2.422306|2.110812|2.084065|2.367180|3.156647|0.057921|2.696682|5.487061|9.702654|8.648211|7.521183|0.191957|12.440421|7.582059|36.858105| |1.673144|1.880403|2.145215|2.501480|2.505936|2.111977|1.885270|2.885522|4.918553|4.601574|4.116412|0.118529|3.506992|2.891601|2.778515|3.029073|2.631342|2.222991|2.107454|2.307870|2.949846|0.054259|2.397550|5.426889|8.381349|10.911716|12.515069|0.247465|7.510027|6.348169|4.900442|36.858105| |1.652281|1.865698|2.112496|2.483357|2.470346|2.101597|1.863337|2.887523|5.075991|4.480657|4.083839|0.124441|3.531028|3.003131|2.986600|3.394730|2.969639|2.448890|2.272398|2.457615|3.072288|0.056263|2.452073|4.905589|7.241870|9.687074|7.994606|0.165862|5.907979|4.981702|4.153931|15.965798|73.516695| |1.615957|1.790869|2.051252|2.335749|2.299786|1.950974|1.777001|2.555538|4.314815|3.993286|3.364417|0.095425|2.893765|2.445790|2.348185|2.516122|2.240991|1.939235|1.851162|2.006152|2.595791|0.048385|2.094042|4.301860|7.224265|7.444292|8.056862|0.214507|5.903670|6.123026|4.191941|14.562423|15.282662|73.516695| |1.530175|1.681888|1.917300|2.155237|2.079447|1.789620|1.647383|2.278724|3.914059|3.438780|2.835851|0.082425|2.477765|2.171549|2.132066|2.313166|2.115546|1.841456|1.741009|1.851914|2.380647|0.044716|1.882604|3.379257|5.657865|5.568763|5.151264|0.136461|4.262458|4.564023|3.240280|8.142881|12.716533|23.757076|36.858105| |17.550403|8.776253|6.863488|4.525826|3.797506|4.047559|5.473797|2.971933|4.945751|3.514917|2.198184|0.061196|1.960701|1.977113|1.867725|1.735657|1.644772|1.655084|1.754836|1.876787|2.692637|0.055013|2.060991|2.034699|3.696271|2.490790|1.685667|0.048532|1.503586|1.387727|1.506894|1.643832|2.893806|2.841248|1.527659|0.500000| |17.548371|8.774291|5.473135|4.047311|3.798154|4.525200|6.863079|2.968570|4.980085|3.481547|2.165276|0.059551|1.981654|2.031371|1.906538|1.740138|1.649650|1.683877|1.817270|1.952596|2.863861|0.059518|2.183019|1.973965|3.584902|2.401488|1.613229|0.046210|1.457813|1.338518|1.480593|1.552766|2.736632|2.660166|1.420244|0.301790|0.500000| |17.531458|8.775573|6.795941|4.515847|4.162702|4.515703|6.795972|3.130436|5.019191|3.770632|2.303027|0.062461|2.064839|2.055604|1.898262|1.739469|1.626532|1.630496|1.743583|1.897610|2.771783|0.056594|2.171799|2.145581|3.983897|2.580135|1.746202|0.050775|1.564099|1.439170|1.592663|1.669763|2.903687|2.883754|1.528191|0.301594|0.301563|0.500000| |8.923824|17.477666|8.923957|6.864148|5.698862|6.863226|8.922639|4.231852|7.259728|4.549988|2.762431|0.078006|2.447719|2.550638|2.407965|2.183742|2.057760|2.095830|2.268122|2.458565|3.567643|0.073024|2.706798|2.416375|4.272093|2.912325|1.904058|0.053964|1.685450|1.521337|1.689737|1.844155|3.293085|3.107282|1.655100|0.213417|0.213369|0.173534|0.500000| |6.888349|8.816997|17.542272|8.865523|5.491044|4.844557|5.507147|4.110128|6.585060|4.742109|2.882856|0.081615|2.423085|2.389286|2.240358|2.097535|1.951294|1.915492|2.005366|2.179153|3.069711|0.060930|2.400074|2.654672|4.787929|3.200979|2.132522|0.061699|1.837952|1.674002|1.813097|2.093258|3.682307|3.596465|1.919556|0.206182|0.140874|0.168444|0.215324|0.500000| |6.941368|8.843481|17.492475|8.846367|6.777879|5.663754|6.809484|4.540884|6.726247|5.416905|3.124504|0.084502|2.619295|2.520698|2.284413|2.097640|1.915241|1.871158|1.980444|2.201881|3.171873|0.062757|2.566514|2.914001|5.468941|3.396084|2.260295|0.066597|1.951717|1.767441|1.967399|2.149755|3.704758|3.690681|1.924604|0.172162|0.141026|0.205706|0.174336|0.303627|0.500000| |4.503001|6.747214|8.827565|17.540919|8.858824|6.822014|5.681983|7.100809|11.983875|6.855152|4.025463|0.119461|3.252166|3.312942|3.110563|2.849357|2.602386|2.546239|2.695699|3.001214|4.188163|0.081230|3.276823|3.365763|5.734106|3.978782|2.503128|0.070397|2.126116|1.874718|2.086967|2.440114|4.400658|4.020633|2.116745|0.119501|0.107564|0.110717|0.202348|0.214608|0.173468|0.500000| |4.066227|5.472128|8.824527|17.527556|8.784428|5.486993|4.842477|6.982818|9.896402|7.980362|4.495507|0.128141|3.392468|3.197518|2.906434|2.707252|2.415686|2.289991|2.381234|2.683492|3.732941|0.071270|3.052715|4.031730|7.152230|4.612151|2.929706|0.085044|2.406178|2.119063|2.353240|2.823743|4.935432|4.707943|2.428169|0.108677|0.094655|0.108547|0.140523|0.213375|0.214931|0.302885|0.500000| |4.190744|5.681113|6.856174|8.869577|17.512599|8.873570|6.856764|8.935431|10.449755|10.425176|4.861541|0.121377|3.924195|3.667350|3.085397|2.691028|2.351697|2.272588|2.460023|2.895234|4.313392|0.082899|3.783667|4.185467|7.940729|4.466060|2.798605|0.081922|2.398898|2.082338|2.491546|2.523410|4.328157|4.160731|2.090963|0.101261|0.101258|0.118513|0.132747|0.140534|0.202328|0.174293|0.214390|0.500000| |4.501003|6.742160|5.679483|6.818842|8.878998|17.556318|8.824479|7.040173|12.790918|6.512745|3.750219|0.104074|3.404375|3.755858|3.409630|2.880341|2.632326|2.714771|3.089098|3.565417|5.498381|0.112089|4.270071|3.005198|5.178964|3.506019|2.193938|0.061202|1.949116|1.708824|1.987989|2.064680|3.709247|3.373406|1.758022|0.107523|0.119441|0.110683|0.202119|0.127129|0.131364|0.202014|0.139854|0.174370|0.500000| |4.068175|5.473274|4.842585|5.483024|8.802890|17.499460|8.833908|6.872209|10.628386|7.153113|3.919512|0.101167|3.687648|3.927887|3.330370|2.748186|2.452960|2.495995|2.854622|3.410782|5.541806|0.112574|4.734735|3.184679|5.690148|3.603511|2.259565|0.063806|2.032707|1.772842|2.135120|2.062253|3.634238|3.372362|1.728385|0.094687|0.108728|0.108613|0.140497|0.106685|0.126822|0.139763|0.122978|0.214437|0.302670|0.500000| |6.944099|8.845228|6.810682|5.663204|6.784334|8.843019|17.491723|4.523001|6.858862|5.239434|2.988335|0.078429|2.696554|2.700867|2.395699|2.109571|1.926864|1.935346|2.122640|2.399290|3.644041|0.074240|2.970938|2.667883|4.975807|3.084669|2.022772|0.058587|1.810664|1.625038|1.882657|1.877563|3.259761|3.167410|1.641188|0.141075|0.172200|0.205788|0.174346|0.139641|0.200431|0.131394|0.126788|0.202315|0.173437|0.215198|0.500000| |6.891955|8.817398|5.507275|4.843456|5.496020|8.857519|17.538242|4.088288|6.789945|4.550758|2.713171|0.073178|2.524136|2.651752|2.418233|2.116914|1.971286|2.031505|2.264252|2.517907|3.863454|0.081202|3.001018|2.364697|4.267016|2.800798|1.828899|0.052009|1.655053|1.487417|1.707876|1.721215|3.039011|2.887015|1.514518|0.140931|0.206294|0.168514|0.215284|0.123370|0.139630|0.127164|0.106680|0.140521|0.214408|0.213485|0.303665|0.500000| |2.844311|3.507069|4.130952|5.462629|7.372981|4.955134|3.898695|9.296899|10.849516|25.986829|9.204967|0.187228|6.085749|4.770742|3.753701|3.288854|2.722933|2.509690|2.658675|3.227040|4.650280|0.084830|4.361996|7.948294|15.718405|6.994604|4.032029|0.118646|3.303883|2.711628|3.484728|3.376627|5.653819|5.333158|2.551168|0.072664|0.071446|0.079953|0.089799|0.098075|0.118474|0.128152|0.164159|0.239993|0.119068|0.137240|0.111078|0.091326|0.500000| |1.886221|2.202021|2.370716|2.882534|3.337135|2.918618|2.390417|4.438483|7.973750|7.614353|8.801131|0.207703|17.579945|9.035615|6.893358|6.268976|4.364441|3.603181|3.646426|4.656647|5.952201|0.099383|5.567662|7.255733|9.621446|9.421765|4.758154|0.115286|4.515605|3.313643|4.812199|3.852443|6.983677|5.497018|2.627320|0.049534|0.049694|0.051718|0.060416|0.060673|0.064641|0.078970|0.082841|0.090721|0.079986|0.084695|0.065178|0.061397|0.134082|0.500000| |2.091779|2.461647|2.622181|3.175951|3.959970|3.475959|2.782403|5.253814|8.682016|9.663236|8.830955|0.174121|17.582760|8.941361|5.620954|4.488276|3.436845|3.097875|3.337981|4.381913|6.366494|0.108085|6.952363|6.861155|10.725264|7.231563|3.981816|0.105512|3.735676|2.892872|4.298809|3.197935|5.551763|4.822692|2.313268|0.053931|0.055121|0.057937|0.066222|0.065320|0.072578|0.084204|0.089213|0.111491|0.091678|0.105596|0.077211|0.070981|0.173937|0.302595|0.500000| |1.765342|2.055045|2.194402|2.661811|2.872128|2.586632|2.151834|3.716022|7.498821|5.431215|5.388841|0.177663|6.169150|6.558709|8.706387|17.743539|9.040339|5.592149|4.820356|5.500879|5.837283|0.098140|4.427048|4.459905|6.229072|6.664057|3.751052|0.089204|3.501114|2.793439|3.283766|3.594361|7.340477|5.136496|2.623118|0.047184|0.046794|0.047431|0.058264|0.057766|0.058070|0.077148|0.076052|0.074302|0.074717|0.072255|0.056991|0.056067|0.094764|0.203938|0.129023|0.500000| |1.595505|1.827290|1.904463|2.234549|2.327065|2.195973|1.880479|2.814515|5.800608|3.818582|3.312681|0.105805|3.570882|4.103735|5.627398|9.044888|17.756802|8.769339|5.588508|4.929040|5.021605|0.089965|3.356784|2.873902|4.338162|4.181657|2.615178|0.064619|2.498604|2.148418|2.344613|2.652987|5.429003|4.026747|2.171818|0.043108|0.042853|0.042384|0.052926|0.051091|0.049772|0.066549|0.062576|0.059536|0.065194|0.060701|0.049186|0.050071|0.068733|0.106555|0.083639|0.216003|0.500000| |1.617447|1.846225|1.858359|2.137273|2.244782|2.229791|1.917826|2.631599|5.539303|3.402590|2.750476|0.084477|2.994064|3.683836|4.959268|5.658301|8.799742|17.723283|9.095128|5.701442|5.716280|0.108543|3.399655|2.341389|3.671109|3.227090|2.050448|0.052439|1.964861|1.724619|1.911008|2.039117|3.997053|3.201371|1.732021|0.043506|0.044178|0.042523|0.054350|0.049682|0.048079|0.064490|0.057917|0.056737|0.067957|0.062107|0.049472|0.052259|0.061481|0.083849|0.073277|0.124135|0.215557|0.500000| |1.818211|2.097903|2.046234|2.345479|2.564839|2.678651|2.254945|2.990671|6.419324|3.738846|2.882019|0.085184|3.228972|4.295338|5.498818|4.821266|5.523417|8.951036|17.753960|8.753884|9.244552|0.192890|4.546135|2.371407|3.789773|3.117117|1.959906|0.051138|1.871469|1.634141|1.880422|1.888961|3.590304|2.989949|1.591276|0.048041|0.050303|0.047583|0.061986|0.053581|0.052724|0.070558|0.061606|0.064128|0.083358|0.076637|0.057506|0.062598|0.066993|0.085438|0.081273|0.105310|0.123176|0.216818|0.500000| |2.088688|2.451470|2.438470|2.852486|3.579571|3.637796|2.873439|4.418922|8.281586|6.190386|4.621696|0.114831|6.460404|8.914799|6.278408|4.325009|3.580624|3.614761|4.397342|6.345045|12.359731|0.203321|17.535679|3.607988|5.932716|4.287201|2.586648|0.068969|2.492201|2.081214|2.731643|2.273240|4.084745|3.555567|1.792101|0.053239|0.056768|0.056824|0.067632|0.060630|0.065756|0.078655|0.075293|0.095255|0.101000|0.117709|0.077320|0.077135|0.110310|0.146128|0.195718|0.108320|0.083533|0.084400|0.110510|0.500000| |2.559319|3.147362|3.116360|3.810153|5.182165|5.375460|3.809954|6.882458|13.350790|8.444645|5.508659|0.138431|6.467408|8.883028|6.205402|4.283279|3.558195|3.603708|4.393391|6.323195|12.377071|0.207739|17.633592|3.938988|6.466003|4.481974|2.655040|0.071773|2.441590|2.046629|2.599671|2.366380|4.257686|3.713823|1.877347|0.064352|0.068892|0.068688|0.087131|0.075454|0.082221|0.105493|0.096918|0.129619|0.151094|0.179588|0.099221|0.099818|0.140157|0.134839|0.179697|0.107140|0.083043|0.084239|0.110751|0.299517|0.500000| |1.865080|2.161242|2.439333|2.990201|3.151127|2.616283|2.224176|3.994354|6.975067|6.732001|7.468543|0.227496|6.063374|4.561294|4.291842|4.740726|3.716079|2.990321|2.842035|3.260346|4.070648|0.072083|3.416471|9.407268|10.862427|26.016473|9.158039|0.183145|6.389198|4.427177|5.162424|7.826945|15.018226|9.180071|4.105516|0.050099|0.048267|0.051154|0.059331|0.064381|0.066617|0.082066|0.091875|0.085852|0.071722|0.071754|0.060661|0.056193|0.126284|0.197687|0.136730|0.170206|0.099720|0.073050|0.068344|0.087382|0.091550|0.500000| |1.503276|1.681558|1.849691|2.130835|2.250567|1.968311|1.740840|2.630857|4.554519|4.254496|3.949059|0.106417|3.959668|3.173834|3.018764|3.286597|2.790763|2.334971|2.220131|2.461980|3.146890|0.057360|2.589051|4.998443|7.730706|9.715067|8.925729|0.174425|17.508749|8.896229|8.893716|6.927652|11.167094|9.234446|4.041112|0.040473|0.039388|0.041778|0.045828|0.049206|0.051580|0.057827|0.063912|0.063292|0.053469|0.055167|0.048381|0.044881|0.085577|0.134241|0.103031|0.110586|0.077483|0.058950|0.054917|0.070699|0.068251|0.188371|0.500000| |1.448991|1.584958|1.764745|1.963806|2.028904|1.769273|1.620182|2.231816|3.726887|3.562525|2.967182|0.078260|2.786775|2.307244|2.153502|2.234014|1.977120|1.741616|1.693971|1.856939|2.456602|0.046002|2.016310|3.851016|7.033240|6.204131|6.806152|0.199462|8.752698|17.549839|6.755887|5.742368|7.795788|10.928844|4.510276|0.039256|0.037715|0.040937|0.042502|0.047381|0.050474|0.052050|0.059747|0.058847|0.047153|0.049209|0.045930|0.041600|0.076134|0.084384|0.076979|0.070149|0.054680|0.044847|0.043082|0.055536|0.055235|0.110347|0.173316|0.500000| |1.336544|1.461916|1.600500|1.782010|1.860340|1.653229|1.505663|2.070248|3.529142|3.265097|2.771327|0.073641|2.748119|2.308111|2.186321|2.299970|2.045334|1.790312|1.727329|1.881611|2.467368|0.046124|2.006457|3.419204|5.969042|5.589759|5.454698|0.139228|8.837098|17.573640|7.090069|4.752167|7.189590|8.137020|3.714306|0.036134|0.035098|0.037547|0.039519|0.042892|0.045319|0.047836|0.053289|0.053296|0.044487|0.046385|0.042410|0.039049|0.068104|0.085967|0.075677|0.072654|0.056996|0.046198|0.043835|0.055833|0.053905|0.104498|0.211395|0.301785|0.500000| |1.386695|1.522012|1.687683|1.892230|1.932976|1.696032|1.544686|2.156254|3.690477|3.376362|2.885818|0.079086|2.733424|2.311253|2.223187|2.388463|2.134686|1.847457|1.760939|1.903341|2.465760|0.046013|1.986936|3.594771|6.102603|6.203885|6.641629|0.161429|8.695537|17.586239|5.487928|6.994876|9.951585|12.713509|5.548274|0.037763|0.036209|0.038780|0.041314|0.045670|0.047532|0.051077|0.057409|0.054886|0.045885|0.046912|0.043225|0.039844|0.069986|0.084804|0.073015|0.076434|0.060228|0.047803|0.044527|0.054178|0.053768|0.119122|0.214311|0.301846|0.302944|0.500000| |1.657765|1.866876|2.039802|2.355888|2.621957|2.285316|1.993620|3.089414|5.140840|5.317393|4.899801|0.116203|5.326459|3.834795|3.310238|3.266792|2.685190|2.330781|2.323928|2.698637|3.615943|0.065481|3.170489|6.534939|11.054804|9.665725|6.836998|0.171062|8.723701|5.487164|17.581002|4.529685|7.149445|6.686979|2.976950|0.043883|0.043458|0.046545|0.050083|0.052924|0.057729|0.062363|0.069713|0.075934|0.060613|0.065815|0.056305|0.051164|0.110371|0.176785|0.156280|0.104078|0.070920|0.057835|0.057753|0.089794|0.083938|0.158760|0.212405|0.138412|0.143432|0.122208|0.500000| |1.451744|1.604685|1.740496|1.959166|2.125562|1.893256|1.693964|2.413074|4.074483|3.932877|3.407523|0.085806|3.617477|2.891520|2.625441|2.661612|2.287923|2.008638|1.979035|2.222489|2.962965|0.054768|2.493097|4.240329|7.477525|6.528739|5.480110|0.140738|8.828924|6.993115|17.565078|4.066230|6.376479|6.394649|2.906148|0.038719|0.038245|0.040866|0.043158|0.045761|0.049392|0.052182|0.057814|0.061444|0.050515|0.054227|0.047947|0.043926|0.082121|0.116235|0.104377|0.083681|0.061909|0.050884|0.049894|0.071139|0.066115|0.116384|0.213443|0.168157|0.216307|0.143120|0.302452|0.500000| |1.609328|1.783861|1.969128|2.221729|2.415172|2.097302|1.881295|2.712337|4.425427|4.569016|3.857686|0.094002|3.796878|2.936091|2.592525|2.569548|2.195250|1.945012|1.939438|2.201005|2.980165|0.055197|2.555857|5.288710|10.407167|7.624424|6.797413|0.204419|8.767929|6.842181|17.555529|4.525780|6.645208|7.312129|3.162367|0.042828|0.041979|0.045688|0.047383|0.051498|0.056700|0.058007|0.066619|0.071466|0.055023|0.059757|0.053867|0.048134|0.099700|0.115007|0.111832|0.080041|0.058847|0.049139|0.049053|0.072048|0.069815|0.124280|0.173313|0.199175|0.174071|0.138858|0.301874|0.301482|0.500000| |1.609594|1.777479|2.042767|2.311564|2.188994|1.873011|1.722527|2.398231|4.144078|3.565582|2.919613|0.086858|2.502674|2.220403|2.197418|2.394210|2.201685|1.916193|1.805769|1.912954|2.448005|0.045989|1.924040|3.386413|5.590935|5.472533|4.682739|0.124087|3.751157|3.781791|2.950232|7.194976|12.687187|16.419255|17.648973|0.044865|0.041351|0.044400|0.048841|0.057303|0.056475|0.063607|0.072988|0.060504|0.051397|0.049762|0.047347|0.043857|0.072814|0.072817|0.064184|0.075062|0.062902|0.050122|0.045814|0.050358|0.053560|0.115170|0.100705|0.103488|0.087804|0.121339|0.077456|0.073295|0.079909|0.500000| 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