Version2.1 2021-01-18T03:26:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCn1c2ccc(cc2nc1SCC(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)S(=O)(=O)N C06017599 RHF 6-31G(d) (6D,7F) CCCCn1c2ccc(cc2nc1SCC(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)S(=O)(=O)N C01[X(C22H36N5O3S2)] 198 C1 560 CCCCn1c(SCC(=O)NC2CC(C)(C)[NH2+]C(C2)(C)C)nc2c1ccc(c2)S(=O)(=O)N CCCCn1c(SCC(=O)NC2CC(C)(C)[NH2+]C(C2)(C)C)nc2c1ccc(c2)S(=O)(=O)N CCCCn1c(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nc3cc(ccc13)[S](N)(=O)=O InChIKey=JVJRCBKGVSGJKR-UHFFFAOYSA-O InChI=1S/C22H35N5O3S2/c1-6-7-10-27-18-9-8-16(32(23,29)30)11-17(18)25-20(27)31-14-19(28)24-15-12-21(2,3)26-22(4,5)13-15/h8-9,11,15,26H,6-7,10,12-14H2,1-5H3,(H,24,28)(H2,23,29,30)/p+1 InChI=1/C22H35N5O3S2/c1-6-7-10-27-18-9-8-16(32(23,29)30)11-17(18)25-20(27)31-14-19(28)24-15-12-21(2,3)26-22(4,5)13-15/h8-9,11,15,26H,6-7,10,12-14H2,1-5H3,(H,24,28)(H2,23,29,30)/p+1/fC22H36N5O3S2/h24,26H,23H2/q+1 CCCCn1c2ccc(cc2nc1SCC(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)S(=O)(=O)N C01[X(C22H36N5O3S2)] 198 C01 560 CCCCn1c(SCC(=O)NC2CC(C)(C)[NH2+]C(C2)(C)C)nc2c1ccc(c2)S(=O)(=O)N CCCCN1[C]([N][C]2[C]1[CH][CH][C]([CH]2)S(=O)(=O)N)SCC(=O)NC1CC(C)(C)[NH2]C(C1)(C)C CCCCN1[C]2[CH][CH][C]([CH][C]2[N][C]1SCC(=O)NC3CC(C)(C)[NH2]C(C)(C)C3)[S](N)(=O)=O InChIKey=DKARTMQCSBJOQS-UHFFFAOYSA-N InChI=1S/C22H36N5O3S2/c1-6-7-10-27-18-9-8-16(32(23,29)30)11-17(18)25-20(27)31-14-19(28)24-15-12-21(2,3)26-22(4,5)13-15/h8-9,11,15H,6-7,10,12-14,26H2,1-5H3,(H,24,28)(H2,23,29,30) InChI=1/C22H36N5O3S2/c1-6-7-10-27-18-9-8-16(32(23,29)30)11-17(18)25-20(27)31-14-19(28)24-15-12-21(2,3)26-22(4,5)13-15/h8-9,11,15H,6-7,10,12-14,26H2,1-5H3,(H,24,28)(H2,23,29,30)/f/h24H,23H2 3564.7403507295 -2145.6900838 1-A 31057.1975 129 431 560 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859.8732 892.8633 912.6847 924.1613 927.9595 929.9606 937.5718 968.4454 969.5603 983.9916 992.5057 1020.7237 1022.2299 1023.5810 1034.8967 1037.8862 1041.8356 1050.6323 1057.4202 1080.6945 1080.9234 1089.6511 1118.1527 1121.9831 1133.8179 1175.4174 1176.6397 1195.1448 1208.3902 1216.2898 1218.2567 1225.1259 1230.1490 1252.7695 1263.6199 1274.1241 1275.7654 1303.2581 1305.4726 1308.1617 1314.1790 1341.4487 1353.3152 1354.0195 1365.8976 1380.4616 1412.9822 1414.3689 1418.9848 1436.2635 1445.7511 1455.9896 1463.8833 1472.6293 1475.4152 1501.3010 1505.1618 1522.4940 1531.6299 1533.4983 1540.2709 1566.3015 1566.7186 1570.3916 1573.3685 1573.8020 1577.5555 1595.5496 1596.2982 1598.2926 1600.2590 1618.9466 1623.0313 1626.0992 1632.3812 1635.7269 1639.9473 1642.2250 1643.0335 1643.9493 1645.6160 1646.0638 1651.0284 1651.9938 1658.3622 1661.1863 1665.0560 1674.0241 1697.1954 1770.2408 1779.2769 1809.2210 1817.0363 1961.9343 3190.7745 3195.9856 3203.2495 3205.4929 3210.9237 3211.5673 3212.8568 3214.8069 3227.2877 3232.0478 3245.9242 3251.1690 3266.9553 3267.6979 3274.3171 3274.3377 3275.0684 3278.1776 3296.5959 3297.1023 3298.4505 3300.5690 3308.2598 3310.8121 3312.9990 3317.6627 3340.6270 3366.3531 3389.2812 3410.7988 3429.6549 3670.8802 3735.5836 3753.1628 3865.9959 3866.4168 3.7349 4.8007 5.3645 6.5135 4.3419 5.3861 5.3962 5.8262 4.9764 1.5666 3.4760 3.5448 3.0507 4.2550 3.5180 3.5417 2.7957 3.3772 1.8138 4.3387 1.0965 2.5192 3.5569 4.3310 1.4026 1.6857 1.5824 1.3006 3.6498 1.7862 1.7146 5.0568 2.9249 1.5741 3.1309 4.5487 5.2047 1.7057 1.4520 3.7850 2.9916 3.5309 2.5498 2.2953 3.0801 4.5752 5.1081 2.6605 3.8567 2.6869 2.6148 2.8457 8.4931 3.3194 4.8454 5.1614 2.2646 5.1681 4.3221 4.7512 5.5479 5.4725 2.7654 1.0995 3.4168 3.7540 4.6916 4.6652 1.3959 4.9756 1.4959 1.9393 3.5897 1.7832 2.2823 3.1446 2.9822 1.8434 2.0368 1.9458 1.8411 2.1276 1.5166 1.8560 1.7164 1.3869 2.1843 1.3400 2.1143 3.5082 1.2866 1.4749 2.3171 1.6628 2.4303 1.7724 1.7042 2.7924 1.8103 2.2456 2.2235 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7.2429 7.3106 7.3815 7.5106 7.5791 8.3812 8.9990 8.6980 9.6840 9.5093 1.5866 1.4246 3.0618 2.2472 1.4573 0.9933 5.9767 1.6159 4.2286 0.0448 4.5668 14.4976 0.6332 0.6433 0.4865 2.1430 2.9692 6.3551 22.0457 0.7053 0.2902 13.6728 1.1318 7.8168 0.2396 1.8979 2.1066 0.5401 18.8317 1.1404 0.1631 1.7986 5.3690 3.0271 4.7297 10.4296 2.3924 29.0736 48.5188 4.0465 2.5341 7.7771 2.2348 6.2855 3.5502 8.6520 3.0342 1.9984 6.7313 2.4088 3.2610 3.1104 21.1587 33.5352 56.9594 93.7872 1.5969 22.4627 14.5316 47.1006 10.8027 24.6935 251.5170 3.0478 1.5435 10.9327 15.8977 1.7114 6.3373 0.7335 32.1355 14.0843 41.4084 8.0296 5.6211 152.7042 33.3279 3.6773 27.0078 7.1949 7.6691 38.4104 1.6610 11.2990 1.3894 8.9779 0.0199 1.1936 3.2765 1.9738 0.2277 3.9759 0.1780 0.6384 42.5296 4.4657 18.7609 1.5016 31.8039 13.8121 3.6966 111.1590 131.2180 129.7199 11.7988 76.4039 40.5249 34.3397 136.1457 28.2860 0.6040 59.7830 33.7777 46.6858 71.0797 3.8226 10.6581 39.2456 15.7481 0.4388 17.4844 17.2434 244.2873 37.0290 96.2727 1.8222 20.8793 8.3000 188.3506 13.3001 38.6073 4.3979 50.1116 17.1518 14.7340 5.3478 77.1550 2.2598 13.9800 1.6315 2.4190 2.3983 4.1706 0.6189 10.0127 4.2075 10.9987 6.1516 31.0504 23.2590 2.5334 1.2098 0.7411 16.7204 12.5246 212.6398 474.8002 54.5715 2.7202 64.9300 76.2390 194.7869 30.8308 6.3371 22.0362 10.5719 29.5736 2.3429 37.9343 7.4615 1.9448 20.0128 9.1717 25.7895 16.0125 65.0879 6.8343 49.2970 19.6823 22.2198 0.9628 42.2837 3.5066 8.9369 15.6141 8.2595 9.3305 0.0439 13.3301 15.2657 5.7279 2.2829 2.2108 38.0425 37.0407 83.3655 67.2534 40.3127 0.5268 0.8054 0.3400 0.2469 0.4534 0.4196 0.4498 1.8918 0.6633 0.1708 2.3241 0.8046 0.4370 0.4742 0.6822 0.6205 0.7301 0.6856 1.6339 0.4899 0.1153 1.6389 2.3958 1.2583 0.1873 0.6801 0.4763 0.4417 1.8240 0.7278 0.2667 1.0469 0.3781 0.3674 1.1669 0.2478 0.6181 1.9324 2.0088 2.0036 0.7676 2.1902 0.3694 0.4440 0.7468 0.3128 0.6097 1.8943 0.0896 1.5400 1.8588 2.2508 1.8872 7.2273 3.5197 4.6795 0.4041 1.2922 1.6063 4.5155 1.6597 2.1175 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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 61 62 63 64 65 66 67 68 6 6 6 6 7 6 6 6 6 6 6 7 6 16 6 6 8 7 6 6 6 7 1 1 6 6 6 6 6 6 16 8 8 7 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 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 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 1.00783
11007.6099 46358.6809 54117.2858 0.99983 0.01852 0.00133 -0.01850 0.99977 -0.01124 -0.00154 0.01121 0.99994 1 0.00787 0.00187 0.00160 0.16395 0.03893 0.03335 12.18 16.47 29.76 33.28 42.57 49.14 73.71 88.55 90.63 107.56 117.78 139.20 175.78 180.78 193.43 195.57 209.81 230.37 237.83 281.24 287.45 304.72 341.50 357.44 372.32 383.32 393.32 396.15 409.78 427.87 443.84 448.90 459.51 480.33 487.49 491.60 517.68 528.97 537.60 576.09 595.77 601.95 657.72 667.16 676.06 688.36 700.49 714.95 717.83 731.29 760.81 797.74 805.48 863.75 879.91 898.31 939.33 983.96 996.35 1056.14 1112.50 1116.45 1129.50 1139.43 1151.75 1186.38 1205.95 1211.93 1237.17 1284.63 1313.15 1329.66 1335.13 1338.01 1348.96 1393.38 1394.98 1415.74 1427.99 1468.59 1470.76 1472.70 1488.99 1493.29 1498.97 1511.63 1521.39 1554.88 1555.21 1567.76 1608.77 1614.28 1631.31 1691.16 1692.92 1719.55 1738.60 1749.97 1752.80 1762.68 1769.91 1802.46 1818.07 1833.18 1835.54 1875.10 1878.28 1882.15 1890.81 1930.05 1947.12 1948.13 1965.22 1986.18 2032.97 2034.96 2041.60 2066.46 2080.11 2094.84 2106.20 2118.79 2122.79 2160.04 2165.59 2190.53 2203.67 2206.36 2216.11 2253.56 2254.16 2259.44 2263.73 2264.35 2269.75 2295.64 2296.72 2299.59 2302.42 2329.30 2335.18 2339.59 2348.63 2353.45 2359.52 2362.80 2363.96 2365.28 2367.67 2368.32 2375.46 2376.85 2386.01 2390.08 2395.64 2408.55 2441.89 2546.98 2559.98 2603.07 2614.31 2822.79 4590.81 4598.31 4608.76 4611.99 4619.80 4620.73 4622.58 4625.39 4643.35 4650.20 4670.16 4677.71 4700.42 4701.49 4711.01 4711.04 4712.09 4716.57 4743.07 4743.79 4745.73 4748.78 4759.85 4763.52 4766.67 4773.38 4806.42 4843.43 4876.42 4907.38 4934.51 5281.58 5374.67 5399.96 5562.31 5562.91 0.624952 0.657550 0.658494 0.555943 -2145.065132 -2145.032534 -2145.031590 -2145.134141 3.439577D-04
MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE CCCCn1c2ccc(cc2nc1SCC(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)S(=O)(=O)N C06017599 RHF 6-31G(d) (6D,10F) C1 482.225959 |X|Y|Z| 73.591138 156.565589 33.587799
72.873192 19 6 7 16 14 4 1
|36.858105| |12.467387|36.858105| |7.488064|12.451834|36.858105| |4.881006|7.511795|12.466663|36.858105| |3.783320|4.957992|7.644927|13.072343|53.358707| |3.295449|4.047994|5.706492|7.526291|18.810777|36.858105| |3.221361|3.862256|5.048951|5.987307|10.232816|13.671598|36.858105| |2.676379|3.050668|3.761470|4.202982|7.004273|8.072860|13.861464|36.858105| |2.369839|2.659059|3.269707|3.649368|6.366084|6.994297|7.890826|13.573967|36.858105| |2.392642|2.707873|3.410023|3.896144|7.348501|7.890966|6.702505|7.818582|13.825067|36.858105| |2.770107|3.246158|4.320826|5.253438|11.763537|13.698452|7.811176|6.899264|8.071375|13.714645|36.858105| |2.754215|3.232550|4.287854|5.246128|11.632428|8.393304|5.298503|4.618062|5.156931|7.598323|13.781694|53.358707| |3.238378|3.984811|5.577001|7.506107|19.009158|8.733720|5.351658|4.263255|4.306547|5.482814|9.020429|20.185119|36.858105| |3.186002|3.856803|4.910548|5.966459|9.504302|4.915033|3.660037|3.068149|3.084286|3.697391|4.965378|9.581568|10.804030|388.023441| |2.510658|2.860235|3.473777|3.938078|6.484701|3.988480|3.087833|2.763845|2.937226|3.645027|4.552085|9.241383|7.125509|74.853356|36.858105| |2.299053|2.557657|2.949181|3.216812|4.879397|3.061749|2.502550|2.270792|2.382098|2.831525|3.344720|6.005010|4.687224|49.610716|12.593206|36.858105| |2.384295|2.651228|2.970911|3.201562|4.606758|2.836585|2.358764|2.118208|2.174951|2.519967|2.972713|5.112509|4.196982|46.690647|7.934373|15.902492|73.516695| |1.999356|2.179305|2.478240|2.660434|4.045496|2.661234|2.228728|2.075868|2.213821|2.621716|2.965897|5.129998|3.744858|33.956462|7.887845|13.982592|15.147460|53.358707| |1.820113|1.954035|2.160545|2.280279|3.356079|2.228063|1.916082|1.795815|1.895595|2.187145|2.424052|3.998090|2.959162|26.223334|5.043983|7.813951|12.394667|17.948062|36.858105| |1.647517|1.742669|1.921499|2.000519|2.956448|2.014867|1.759266|1.676809|1.786737|2.048947|2.211321|3.557188|2.559748|21.287281|3.968634|5.164823|8.131352|10.655419|12.464793|36.858105| |1.503490|1.574634|1.704163|1.758425|2.548703|1.744179|1.548495|1.480002|1.562469|1.759141|1.881718|2.951296|2.148477|17.674282|3.067218|3.843776|6.547709|6.790857|7.430983|12.416788|36.858105| |1.446180|1.526402|1.637236|1.709473|2.458377|1.677329|1.494306|1.425114|1.496809|1.676287|1.795836|2.803519|2.057755|17.011918|2.887790|3.621861|6.365695|6.124824|6.618300|7.676181|12.388898|53.358707| |1.373841|1.441064|1.531803|1.589182|2.264748|1.549184|1.391565|1.328882|1.389065|1.542022|1.645434|2.539029|1.871774|15.351925|2.531542|3.101258|5.562105|5.009208|5.044607|5.688372|9.131664|25.685602|0.500000| |1.386053|1.467160|1.578227|1.658309|2.401385|1.653304|1.476481|1.417158|1.496987|1.677616|1.781998|2.769867|2.009112|16.308445|2.787026|3.390989|5.807201|5.770869|5.753219|6.900075|9.246570|25.711115|0.330886|0.500000| |1.543778|1.648172|1.762406|1.861946|2.658736|1.786942|1.581341|1.492279|1.556122|1.745714|1.897619|2.990585|2.234262|19.035027|3.196997|4.175373|7.686210|6.758659|7.416684|6.299899|7.066397|16.812671|0.253020|0.256703|36.858105| |1.695891|1.835053|1.998500|2.143579|3.117041|2.075761|1.803600|1.692882|1.777422|2.028695|2.234521|3.619954|2.695701|23.573953|4.236715|5.982007|10.425488|10.539263|12.424744|7.593497|6.321587|10.478657|0.158246|0.192448|12.440726|36.858105| |1.592390|1.687872|1.779095|1.855478|2.596354|1.727283|1.535779|1.438130|1.481727|1.647135|1.802856|2.821207|2.151889|18.633041|2.976268|3.882605|7.706157|5.777300|5.931469|4.929461|5.654660|10.288920|0.202212|0.158577|12.450593|7.451130|36.858105| |1.421036|1.521943|1.615028|1.720467|2.447548|1.660331|1.484004|1.407847|1.466191|1.631173|1.756506|2.725614|2.027659|16.840797|2.748670|3.373321|6.157058|5.212658|4.890046|4.439970|4.884934|10.615701|0.196801|0.217028|12.443250|7.541918|7.626579|36.858105| |1.537706|1.591300|1.705082|1.730174|2.469695|1.678996|1.498128|1.424028|1.487972|1.660453|1.785203|2.779052|2.056706|17.072553|2.845267|3.552315|6.349876|5.797333|5.935066|7.452515|12.448879|10.312169|0.202926|0.158710|5.656869|4.936274|5.703875|4.046395|36.858105| |1.366866|1.423165|1.538061|1.582191|2.300985|1.601383|1.437309|1.390274|1.476268|1.651484|1.735141|2.674794|1.917870|15.243226|2.606721|3.070740|5.151506|5.242297|4.899509|7.546134|12.439358|10.617103|0.196840|0.216743|4.880365|4.451764|4.041284|3.987976|7.627498|36.858105| |1.982278|2.158460|2.535424|2.731752|4.443263|4.244122|4.736016|6.969148|10.790789|7.019927|4.771944|4.968413|3.123028|17.310615|2.404607|2.023789|3.297501|2.629946|1.686942|1.622206|1.434952|1.871053|0.035619|0.038429|1.412058|1.591268|1.339755|1.341276|1.363597|1.377120|388.023441| |1.829691|1.978938|2.318667|2.492036|4.081741|3.723841|3.813187|4.925595|7.374005|6.654959|4.482076|4.961915|3.018551|17.087617|2.475720|2.088181|3.355649|2.765288|1.768048|1.721387|1.513880|1.963726|0.037258|0.040560|1.469231|1.660650|1.380081|1.394239|1.425649|1.464381|94.592951|73.516695| |1.988966|2.123081|2.458168|2.557594|4.008102|3.726561|4.350265|6.235093|7.306010|5.092546|3.912317|4.215586|2.758611|15.671609|2.145716|1.836927|3.029214|2.385848|1.548801|1.495586|1.335450|1.736682|0.033246|0.035528|1.306201|1.457242|1.250227|1.239081|1.281736|1.284730|94.710274|13.592747|73.516695| |1.832894|2.012372|2.304572|2.533367|4.001112|3.696348|4.200481|5.812699|7.076062|5.182648|3.952414|4.287294|2.782899|15.824111|2.179703|1.863117|3.066525|2.421932|1.570053|1.503889|1.342121|1.772083|0.033838|0.036526|1.344768|1.507145|1.275306|1.292933|1.272127|1.289256|82.108122|13.476449|13.811988|53.358707| |17.543541|8.776891|6.785418|4.508874|4.978378|3.151243|2.991135|2.522847|2.287927|2.350934|2.727540|3.781697|3.265263|23.659565|2.638395|2.443883|4.536007|2.883685|1.932895|1.747675|1.593667|2.071110|0.040147|0.040290|1.620901|1.779861|1.682508|1.477638|1.644438|1.441986|13.676975|3.200119|3.416870|2.398662|0.500000| |17.563415|8.788128|5.464350|4.054807|4.361019|2.834992|2.806739|2.379994|2.118221|2.125989|2.422037|3.282446|2.794646|19.907554|2.250890|2.099456|3.905076|2.506732|1.698866|1.541602|1.421135|1.872008|0.036481|0.036605|1.469785|1.598587|1.525171|1.361067|1.458410|1.294698|12.828943|2.968103|3.225497|2.301102|0.301744|0.500000| |17.546121|8.775798|6.785921|4.507942|4.986035|3.339772|3.378780|2.833554|2.476190|2.454608|2.795496|3.685101|3.104162|20.850307|2.373267|2.152456|3.904011|2.581665|1.723122|1.577570|1.438938|1.876506|0.036390|0.036856|1.459497|1.601801|1.494187|1.346890|1.466490|1.319001|14.789233|3.379335|3.770397|2.596612|0.301606|0.301801|0.500000| |8.863280|17.512281|8.849251|6.905095|6.302456|3.968531|3.994011|3.141930|2.671311|2.655210|3.127898|4.116108|3.637577|24.216193|2.595566|2.320318|4.244944|2.725979|1.803547|1.618190|1.468832|1.950432|0.037658|0.038463|1.545918|1.714007|1.575139|1.442736|1.475671|1.336401|15.486013|3.501488|3.826388|2.808987|0.173003|0.213160|0.210783|0.500000| |8.861408|17.512089|8.851040|6.909973|6.288495|3.665276|3.396900|2.735903|2.440947|2.526598|3.034728|4.251771|3.903383|28.931196|2.951963|2.695325|5.089769|3.086315|2.046569|1.801972|1.633275|2.170066|0.041835|0.042386|1.740241|1.935982|1.798797|1.605752|1.655956|1.463844|14.232011|3.304942|3.461024|2.564826|0.210824|0.213060|0.172976|0.303809|0.500000| |6.859852|8.833096|17.533795|8.883289|9.486647|5.153315|4.343197|3.405366|3.098123|3.335783|4.240279|6.081122|5.876972|39.829206|3.891907|3.306816|5.940716|3.727020|2.370246|2.096493|1.846124|2.389433|0.045492|0.046711|1.886895|2.150720|1.913222|1.705385|1.860159|1.653481|17.315550|4.048292|4.180294|2.972423|0.203442|0.140287|0.168855|0.173442|0.211318|0.500000| |6.859936|8.832924|17.532982|8.876111|9.538172|6.121132|5.871717|4.307594|3.616877|3.650891|4.507478|5.703688|5.071202|29.605153|3.167029|2.676907|4.701780|3.137482|2.013344|1.821301|1.617790|2.104975|0.040257|0.041606|1.645914|1.857613|1.650166|1.513645|1.614602|1.475951|19.737473|4.427608|4.878053|3.373486|0.168821|0.140300|0.203459|0.211279|0.173456|0.303599|0.500000| |4.530581|6.857973|8.803735|17.593851|12.602239|7.075858|6.523031|4.455494|3.686842|3.752622|4.808084|6.110606|5.767260|32.881974|3.330117|2.784936|4.927555|3.214121|2.053852|1.820873|1.616591|2.155022|0.041072|0.042889|1.720696|1.960661|1.710922|1.610880|1.586005|1.467137|19.725873|4.402695|4.640269|3.595147|0.111192|0.108624|0.119421|0.206908|0.171410|0.173542|0.210779|0.500000| |4.526816|6.839761|8.809406|17.599131|12.539538|5.706235|4.600817|3.485497|3.149390|3.421847|4.502011|6.601161|7.070233|49.127338|4.211012|3.517626|6.412687|3.858840|2.437281|2.096504|1.844606|2.463199|0.046671|0.048549|2.001376|2.314815|2.008620|1.847437|1.816914|1.641560|17.341770|4.036863|4.035364|3.125743|0.119495|0.108473|0.111102|0.170552|0.206412|0.211754|0.173539|0.304975|0.500000| |3.572451|4.365029|5.489581|6.294704|8.957362|8.793778|17.742330|8.931739|5.616973|4.864802|5.572822|5.846205|4.601070|24.112345|2.796939|2.326913|3.975343|2.812388|1.801398|1.650690|1.467442|1.935499|0.036968|0.038906|1.509256|1.705721|1.479395|1.420303|1.430464|1.360489|27.839018|5.687089|6.736362|4.951618|0.089092|0.086594|0.105364|0.131778|0.103577|0.123357|0.182425|0.211487|0.131571|0.500000| |2.535942|2.832664|3.345691|3.614246|5.604239|5.698336|8.970128|17.752752|8.882681|5.612833|4.969037|4.988706|3.465882|18.769212|2.393622|2.015599|3.375840|2.529941|1.631088|1.532952|1.366698|1.795601|0.034343|0.036464|1.377114|1.546159|1.331886|1.305882|1.319788|1.290742|47.586525|8.073976|12.244932|8.261652|0.065815|0.063494|0.075499|0.082511|0.070384|0.083737|0.106858|0.108737|0.084804|0.215322|0.500000| |2.152338|2.395537|2.944613|3.297289|5.950696|5.612547|4.867162|5.586986|8.900946|17.772687|8.842645|9.142557|4.743650|24.461557|3.626450|2.844463|4.427944|3.684135|2.251184|2.140287|1.825885|2.356730|0.044096|0.048452|1.786069|2.080752|1.666346|1.669323|1.705824|1.728854|47.418484|13.826334|8.436275|6.697744|0.059401|0.053609|0.061043|0.064861|0.062924|0.081744|0.086147|0.087536|0.083122|0.106096|0.123700|0.500000| |2.503184|2.790761|3.440456|3.743001|6.297112|4.049480|3.141499|2.857343|3.094591|3.910060|4.805300|9.794615|6.792360|56.463357|17.618996|8.893614|10.883439|9.698249|4.693593|3.969262|3.039338|3.766204|0.067707|0.074368|2.945822|3.777903|2.745408|2.525467|2.837600|2.633098|18.058343|4.708982|4.038139|3.055174|0.073646|0.061851|0.066694|0.070101|0.078255|0.108757|0.089535|0.088047|0.106285|0.078070|0.068474|0.110049|0.500000| |2.301855|2.636445|3.169280|3.707877|6.249973|4.016592|3.117682|2.837288|3.075344|3.886133|4.769046|9.731548|6.739114|56.443589|17.608569|8.902986|10.981673|9.572391|4.665004|3.779695|2.940905|3.853774|0.068748|0.077639|3.136629|4.187286|2.835515|2.778925|2.655075|2.547527|17.949127|4.670302|3.924785|3.151888|0.066035|0.057817|0.060972|0.067954|0.075138|0.094929|0.081542|0.089957|0.109108|0.077483|0.068000|0.109501|0.304059|0.500000| |1.921756|2.092290|2.401479|2.588932|4.029653|2.719235|2.275660|2.149586|2.335089|2.805216|3.119330|5.412490|3.754142|31.533443|7.541719|9.315816|10.872643|26.043362|8.970963|7.383214|4.660461|5.636001|0.094760|0.113178|4.316588|6.271979|3.615398|3.505594|3.858880|3.841734|14.584327|3.894439|3.277312|2.555096|0.056207|0.049058|0.051172|0.053799|0.059701|0.073070|0.062964|0.064305|0.075240|0.057942|0.053283|0.082203|0.207986|0.206743|0.500000| |1.908116|2.033156|2.227726|2.313981|3.341040|2.190678|1.889996|1.756938|1.832833|2.095222|2.340513|3.832281|2.909908|26.491326|4.766058|7.483827|13.897221|12.775694|17.648076|8.853541|6.747259|8.046120|0.134343|0.135640|6.758857|8.870031|6.553268|4.451115|6.532850|4.446761|11.556198|2.998770|2.676801|2.055234|0.056857|0.049553|0.049820|0.051677|0.059598|0.068626|0.057233|0.057535|0.069142|0.049770|0.044454|0.059184|0.123802|0.116668|0.183321|0.500000| |1.697168|1.779874|1.974741|2.028087|3.009364|2.059343|1.797508|1.716610|1.833849|2.106649|2.268386|3.644347|2.606712|21.408480|3.985922|4.979158|7.735589|9.724473|8.827924|17.576169|8.937571|7.596384|0.127042|0.141475|4.744194|5.513475|4.100758|3.562179|7.074850|6.706560|11.845610|3.150598|2.743052|2.078394|0.050330|0.043906|0.045327|0.045680|0.050775|0.060380|0.052294|0.051017|0.058466|0.046749|0.043555|0.061259|0.116274|0.102660|0.195663|0.212925|0.500000| |1.576766|1.675891|1.855854|1.952243|2.919115|2.016504|1.763432|1.696347|1.826496|2.104297|2.242603|3.594832|2.531562|20.444314|3.864267|4.727730|7.201219|9.701984|8.872672|17.500502|8.856164|9.247860|0.141990|0.197576|5.601432|6.909484|4.194803|4.352057|5.490385|7.274567|11.881314|3.184545|2.717815|2.113935|0.046091|0.040972|0.042167|0.043545|0.047876|0.055702|0.049182|0.049707|0.056492|0.045692|0.043052|0.061829|0.107713|0.106965|0.215605|0.173995|0.303386|0.500000| |1.620168|1.759536|1.926807|2.087712|3.077434|2.079382|1.809418|1.713758|1.816922|2.082749|2.268143|3.662640|2.666580|22.497132|4.118834|5.349620|8.693689|9.632287|8.880837|6.926895|5.629193|9.275310|0.142196|0.198557|8.843007|17.511384|5.482960|7.240385|4.205165|4.372029|11.640364|3.062265|2.644564|2.119382|0.046880|0.042386|0.042786|0.046007|0.051177|0.057059|0.050138|0.053464|0.062106|0.047244|0.043448|0.059967|0.102746|0.119370|0.180396|0.174399|0.141619|0.207485|0.500000| |1.793587|1.962711|2.129030|2.310830|3.326297|2.179068|1.884095|1.749254|1.819816|2.073496|2.316843|3.772349|2.876574|26.035241|4.509155|6.496500|12.404215|9.641836|8.857774|5.527966|4.757937|7.604522|0.127010|0.141793|8.938788|17.603568|7.062976|6.683777|4.106066|3.570285|11.464341|2.961794|2.622600|2.089085|0.052154|0.047020|0.046693|0.050887|0.058146|0.063479|0.054345|0.058588|0.070512|0.049712|0.044298|0.058381|0.106679|0.123469|0.155468|0.214463|0.123674|0.141666|0.303126|0.500000| |1.479817|1.555206|1.626571|1.683969|2.345450|1.574140|1.413460|1.330449|1.368835|1.509727|1.637658|2.528606|1.919654|16.255562|2.554171|3.197233|6.219171|4.739265|4.623002|4.234455|5.218962|9.561709|0.222037|0.150000|8.754750|5.448614|17.548141|6.847218|5.545170|3.972900|8.875952|2.285686|2.080608|1.621140|0.043377|0.039582|0.038699|0.040479|0.045883|0.048370|0.042153|0.043426|0.050295|0.037944|0.034415|0.042463|0.066520|0.068008|0.085246|0.139107|0.100781|0.102390|0.122860|0.141679|0.500000| |1.631159|1.742091|1.822790|1.915887|2.654671|1.753049|1.559194|1.451767|1.486315|1.647048|1.813408|2.833061|2.187292|19.134765|2.968335|3.831149|7.878470|5.399147|5.106662|4.088794|4.361596|7.537212|0.148016|0.128261|8.941567|6.664791|17.599906|7.181159|4.349915|3.325691|9.512405|2.434443|2.217586|1.743280|0.047672|0.043562|0.042280|0.045263|0.052019|0.054150|0.046643|0.049206|0.058232|0.041899|0.037362|0.045978|0.074594|0.078976|0.093863|0.154797|0.097017|0.100433|0.141514|0.204905|0.302846|0.500000| |1.699215|1.791761|1.893058|1.953363|2.727427|1.801863|1.595140|1.487109|1.529385|1.704053|1.877126|2.954805|2.269892|19.978096|3.189376|4.270315|8.723346|6.271587|6.565164|5.281400|5.870419|8.936255|0.171585|0.138105|8.662380|6.858998|17.667794|5.498289|6.645445|4.051756|9.782903|2.515122|2.289130|1.769234|0.050330|0.045052|0.044159|0.046041|0.053110|0.057195|0.048623|0.049584|0.058746|0.042693|0.038175|0.047752|0.082379|0.082058|0.106101|0.233114|0.126544|0.118291|0.138448|0.182043|0.300842|0.304564|0.500000| |1.375291|1.475704|1.575517|1.687041|2.424969|1.661396|1.486362|1.419983|1.489726|1.661540|1.774061|2.746504|2.014033|16.406999|2.720233|3.253490|5.725281|5.136779|4.627712|4.413000|4.695598|9.684870|0.172801|0.235624|8.727133|6.874675|5.504756|17.546062|3.703931|4.068656|9.746843|2.549802|2.240445|1.802436|0.039571|0.036508|0.036397|0.039015|0.042973|0.046026|0.041255|0.044041|0.049981|0.039328|0.036575|0.047594|0.069871|0.078019|0.099526|0.111849|0.097999|0.128121|0.217618|0.163223|0.140387|0.143908|0.122068|0.500000| |1.460965|1.576117|1.664864|1.788324|2.526645|1.702456|1.520619|1.434612|1.485558|1.649262|1.787544|2.773312|2.085311|17.471530|2.790065|3.404581|6.361826|5.026620|4.476947|3.842891|3.996266|7.627140|0.143880|0.152924|8.875648|6.881044|6.926972|17.599522|3.478003|3.301601|9.610715|2.481872|2.216911|1.782990|0.042043|0.038960|0.038302|0.041599|0.046485|0.048607|0.043097|0.046629|0.053820|0.040558|0.036954|0.046572|0.069934|0.078760|0.093011|0.115789|0.088275|0.104452|0.181886|0.198313|0.166957|0.215326|0.142506|0.302755|0.500000| |1.338437|1.422636|1.497530|1.581709|2.233398|1.521993|1.372141|1.305325|1.354816|1.494971|1.600589|2.455217|1.828392|15.017169|2.400257|2.885602|5.308741|4.384646|4.036671|3.850352|4.493823|9.563371|0.208400|0.191940|8.740172|5.474018|7.009098|17.548626|3.909675|3.837659|8.871082|2.301241|2.060771|1.639523|0.038667|0.035780|0.035284|0.037534|0.041654|0.043841|0.039109|0.041314|0.046996|0.036636|0.033808|0.042436|0.062091|0.066905|0.082792|0.106257|0.088655|0.103813|0.144532|0.138457|0.206728|0.180423|0.140870|0.299848|0.302428|0.500000| |1.540755|1.581680|1.700923|1.709233|2.448146|1.674784|1.497939|1.429272|1.497208|1.669511|1.785722|2.766948|2.034217|16.636302|2.769060|3.356432|5.883518|5.431098|5.115805|6.676237|8.931268|7.545109|0.148286|0.128237|4.362842|4.094967|4.352267|3.328283|17.595848|7.172653|9.792888|2.566892|2.310387|1.736770|0.045942|0.040481|0.041023|0.040665|0.045403|0.051748|0.045033|0.043465|0.049419|0.039671|0.036825|0.047771|0.078649|0.071316|0.103246|0.154522|0.205898|0.141875|0.100690|0.097203|0.117750|0.098202|0.139578|0.087089|0.081400|0.089406|0.500000| |1.436909|1.481291|1.571276|1.592049|2.254208|1.538616|1.384979|1.319585|1.373408|1.519357|1.624724|2.498978|1.853565|15.225319|2.472644|3.011341|5.462832|4.747649|4.621094|5.447880|8.759231|9.576077|0.222818|0.150169|5.214256|4.236047|5.529045|3.976121|17.552424|6.857283|9.005950|2.347715|2.124101|1.617740|0.042544|0.038106|0.038086|0.038340|0.042862|0.047279|0.041401|0.040830|0.046433|0.036906|0.034152|0.043264|0.068098|0.064827|0.089055|0.138666|0.141936|0.123009|0.102552|0.100746|0.165815|0.117454|0.168335|0.099963|0.094303|0.112371|0.303103|0.500000| |1.655060|1.715403|1.833730|1.856343|2.629664|1.764838|1.566613|1.475758|1.532113|1.711365|1.862245|2.920109|2.195123|18.696211|3.080596|3.977282|7.408485|6.274798|6.557228|6.847811|8.665153|8.975124|0.172615|0.138430|5.891081|5.288743|6.681358|4.065454|17.666092|5.498289|9.888150|2.566719|2.325035|1.764865|0.049436|0.043580|0.043526|0.043913|0.049955|0.055951|0.047818|0.046968|0.054599|0.041676|0.037906|0.048446|0.084223|0.078265|0.110771|0.231779|0.181480|0.138356|0.118527|0.126754|0.169941|0.139927|0.252081|0.100293|0.100277|0.107342|0.303822|0.301238|0.500000| |1.330526|1.392960|1.510283|1.567092|2.294756|1.607900|1.443907|1.403946|1.499777|1.681594|1.754593|2.700079|1.915997|15.042318|2.595081|3.002660|4.952910|5.165003|4.636641|6.873975|8.726566|9.677696|0.172639|0.234996|4.689935|4.425953|3.699082|4.066323|5.505243|17.546947|9.996572|2.673718|2.318471|1.798012|0.038768|0.034988|0.035753|0.036506|0.039709|0.044827|0.040361|0.040534|0.045078|0.037831|0.036192|0.049234|0.072572|0.071959|0.108588|0.111796|0.163531|0.218584|0.128803|0.098251|0.099827|0.087027|0.100030|0.121783|0.093136|0.106955|0.143794|0.140522|0.122079|0.500000| |1.291497|1.338743|1.433785|1.469439|2.117362|1.474939|1.333946|1.290879|1.362984|1.511020|1.583916|2.416837|1.744485|13.821797|2.301413|2.684270|4.607278|4.402825|4.042245|5.475591|8.744022|9.572198|0.208620|0.192006|4.491276|3.859477|3.903751|3.840226|7.011230|17.552250|9.081122|2.403020|2.128686|1.635429|0.037807|0.034160|0.034610|0.035010|0.038305|0.042654|0.038235|0.038029|0.042376|0.035258|0.033457|0.043730|0.064191|0.062484|0.088482|0.106159|0.138831|0.144969|0.104215|0.088801|0.112235|0.089326|0.106901|0.107121|0.088131|0.107810|0.180179|0.207153|0.140980|0.299987|0.500000| |1.380154|1.428583|1.549850|1.581854|2.308493|1.614661|1.451004|1.408211|1.499831|1.678368|1.755413|2.697731|1.922788|15.120784|2.586759|2.988716|4.960356|5.060886|4.484766|6.888837|8.864760|7.627358|0.143950|0.152722|3.992933|3.850144|3.475064|3.301060|6.925573|17.597631|9.980643|2.662767|2.335444|1.775052|0.040566|0.036214|0.037144|0.037187|0.040596|0.046452|0.041528|0.040665|0.045270|0.038081|0.036322|0.048963|0.074177|0.069623|0.104885|0.115623|0.199321|0.182860|0.104838|0.088459|0.094290|0.081347|0.100008|0.093144|0.078683|0.088085|0.214994|0.167229|0.142335|0.302655|0.302519|0.500000| |1.726246|1.898274|2.165132|2.400549|3.802790|3.426826|3.709331|4.783808|5.946407|4.905226|3.772358|4.218992|2.709889|15.606894|2.188579|1.876750|3.074509|2.459212|1.594646|1.531380|1.365398|1.808850|0.034487|0.037460|1.371583|1.539381|1.292185|1.324904|1.285406|1.315562|60.703923|13.257999|10.345434|25.904080|0.046352|0.044388|0.049471|0.053823|0.049903|0.057462|0.063706|0.069035|0.061373|0.089648|0.132071|0.136719|0.062323|0.065438|0.053251|0.042321|0.043003|0.044230|0.044494|0.043453|0.033517|0.036031|0.036433|0.037885|0.037272|0.034235|0.035735|0.033370|0.036280|0.037638|0.034022|0.036880|0.500000| 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