Version2.0 2020-08-09T07:43:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2c3cccc4c3c(c[nH]4)C[C@@H]2[NH+](C1)CC=C C38496027 RHF 6-31G(d) (6D,7F) C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2c3cccc4c3c(c[nH]4)C[C@@H]2[NH+](C1)CC=C C01[X(C23H34N4O1)] 180 C1 488 C=CC[NH+]1C[C@@H](C[C@@H]2[C@@H]1Cc1c[nH]c3c1c2ccc3)C(=O)NCCC[NH+](C)C C=CC[NH+]1C[C@@H](C[C@@H]2[C@@H]1Cc1c[nH]c3c1c2ccc3)C(=O)NCCC[NH+](C)C C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]2[C@H](Cc3c[nH]c4cccc2c34)[NH+](CC=C)C1 InChIKey=JJTHJEHDIBAMMM-LMNJBCLMSA-P InChI=1S/C23H32N4O/c1-4-10-27-15-17(23(28)24-9-6-11-26(2)3)12-19-18-7-5-8-20-22(18)16(14-25-20)13-21(19)27/h4-5,7-8,14,17,19,21,25H,1,6,9-13,15H2,2-3H3,(H,24,28)/p+2/t17-,19+,21+/m1/s1 InChI=1/C23H32N4O/c1-4-10-27-15-17(23(28)24-9-6-11-26(2)3)12-19-18-7-5-8-20-22(18)16(14-25-20)13-21(19)27/h4-5,7-8,14,17,19,21,25H,1,6,9-13,15H2,2-3H3,(H,24,28)/p+2/t17-,19+,21+/m1/s1/fC23H34N4O/h24,26-27H/q+2 C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2c3cccc4c3c(c[nH]4)C[C@@H]2[NH+](C1)CC=C C01[X(C23H34N4O1)] 180 C01 488 C=CC[NH+]1C[C@@H](C[C@@H]2[C@@H]1Cc1c[nH]c3c1c2ccc3)C(=O)NCCC[NH+](C)C C=CC[NH]1C[C@@H](C[C@@H]2[C@@H]1C[C]1=CN[C]3[C]1[C]2[CH][CH][CH]3)[C]([NH]CCC[NH](C)C)=O C[NH](C)CCCNC(=O)[C@@H]1C[C@H]2[C]3[CH][CH][CH][C]4NC=C(C[C@@H]2[NH](CC=C)C1)[C]34 InChIKey=ANXKFWVNHGITOU-LMNJBCLMSA-N InChI=1S/C23H34N4O/c1-4-10-27-15-17(23(28)24-9-6-11-26(2)3)12-19-18-7-5-8-20-22(18)16(14-25-20)13-21(19)27/h4-5,7-8,14,17,19,21,25-27H,1,6,9-13,15H2,2-3H3,(H,24,28)/t17-,19+,21+/m1/s1 InChI=1/C23H34N4O/c1-4-10-27-15-17(23(28)24-9-6-11-26(2)3)12-19-18-7-5-8-20-22(18)16(14-25-20)13-21(19)27/h4-5,7-8,14,17,19,21,25-27H,1,6,9-13,15H2,2-3H3,(H,24,28)/t17-,19+,21+/m1/s1/f/h24H 2679.1828627495 -1182.969374 1-A 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1480.7549 1484.9126 1504.7556 1514.0517 1525.1592 1539.1317 1540.5009 1546.2223 1549.5066 1563.3374 1577.3068 1579.0311 1587.3071 1589.1216 1592.2346 1594.6163 1604.1749 1607.3521 1611.3199 1616.6048 1621.2588 1632.9288 1636.8131 1638.3670 1642.1221 1642.6457 1643.0445 1649.2642 1654.5787 1655.1655 1658.5439 1686.4276 1722.3738 1743.6305 1802.7258 1821.6537 1869.4245 1904.7464 3178.0985 3199.4082 3214.3820 3232.7911 3245.8936 3254.8276 3263.1454 3265.3802 3267.5549 3272.9424 3275.3168 3279.9377 3285.2464 3288.3099 3292.2582 3311.8832 3328.7274 3341.7795 3357.9264 3366.3471 3368.9722 3369.0929 3370.7333 3372.0162 3382.9239 3384.3894 3384.8822 3396.6237 3433.8055 3444.8331 3634.2471 3691.4314 3875.4740 3903.0229 4.4654 3.6550 2.8598 4.4283 3.4860 3.9281 3.4642 4.6645 2.9948 2.0906 3.5088 3.2100 3.1860 3.3466 3.2414 3.2639 1.2645 3.6323 2.2383 1.9890 1.6918 3.4236 4.0394 2.8372 3.5301 2.9805 2.7042 4.6914 3.2191 3.5928 2.8550 2.4235 2.4156 1.5532 1.8702 2.9620 2.8112 1.2116 3.5105 3.3355 3.2664 3.9344 3.6912 2.8718 4.2338 3.2751 2.2641 2.8251 4.5192 1.3508 4.7943 1.8191 2.6185 2.8907 2.8041 2.6037 3.3555 2.7887 1.4108 1.7805 2.0758 2.1922 1.5347 2.2360 2.8474 2.4503 1.8158 2.4959 2.6217 3.0334 1.3354 2.9832 2.2670 2.5709 3.2804 1.5289 1.3534 1.5041 2.2130 1.4357 3.0543 1.9993 1.3452 2.2599 1.9511 2.7256 2.1102 1.6500 1.8234 1.6906 1.6434 1.2798 1.2169 1.4630 1.6811 1.5810 2.1551 1.4883 1.3719 1.4682 1.8115 1.6129 1.9022 1.2843 1.5014 1.4030 1.4964 1.1839 1.3777 1.1248 1.6403 1.3931 1.3435 1.4071 1.2698 1.4903 1.2943 1.5234 1.2713 1.3332 1.2118 1.1935 1.1945 2.3347 1.5979 1.8894 1.2160 1.1156 1.0954 1.0778 1.0748 1.0875 1.0615 1.0976 1.0864 1.1193 1.0979 1.0939 1.0690 2.9711 2.0424 5.7246 7.4870 5.9761 3.9382 7.6070 1.0735 1.0838 1.0693 1.0690 1.0811 1.0623 1.0392 1.0864 1.0459 1.0400 1.0699 1.0711 1.1018 1.0951 1.0912 1.1088 1.1100 1.0635 1.1027 1.1111 1.0896 1.0955 1.1109 1.1104 1.0922 1.0993 1.1091 1.0974 1.1165 1.0995 1.0787 1.0786 1.0799 1.0819 0.0007 0.0007 0.0012 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16.2606 6.3885 6.5366 6.5096 6.5824 6.7112 6.6308 6.5195 6.8249 6.5794 6.5636 6.7625 6.7894 7.0066 6.9766 6.9688 7.1654 7.2468 6.9977 7.3258 7.4186 7.2863 7.3261 7.4367 7.4392 7.3642 7.4188 7.4872 7.4594 7.7561 7.6875 8.3943 8.6596 9.5561 9.7108 5.8454 1.9695 0.7109 1.4062 1.1379 1.1437 1.5601 6.4622 2.1906 0.0558 4.8227 7.6017 1.3170 1.3448 4.2846 4.8312 1.8469 3.5831 0.7680 0.7045 2.1228 4.9739 7.8144 9.5242 3.6705 12.1816 21.8266 7.1236 6.1443 0.2557 1.9024 2.4433 11.9295 90.7470 19.1090 15.9359 4.1411 80.8475 6.4105 3.9688 2.3512 0.5545 1.0527 3.9648 3.0493 3.1317 7.1257 2.7486 2.2889 1.2431 20.7662 41.9550 4.9875 9.2254 14.3538 17.8593 4.1391 5.5837 7.8708 8.5757 10.1511 13.3225 3.0694 32.8516 48.9079 2.4086 2.3091 53.8046 32.4843 23.5047 0.4361 29.7646 4.8967 1.0995 12.3779 35.0120 37.2397 7.9501 3.7471 6.5899 6.6049 21.1235 8.5157 39.0113 15.0409 5.0121 3.9873 5.7029 12.8371 10.8856 1.4805 9.0519 44.8967 64.8330 34.9986 5.5915 43.8284 29.1966 26.1846 42.2966 10.0030 9.9913 8.2072 1.0675 7.1938 13.1843 7.8434 6.1452 0.4639 16.1094 14.1263 9.0720 4.3525 20.1974 24.3830 1.1293 48.1132 26.2812 33.1128 5.7374 29.8061 19.5435 30.8363 26.4204 85.1792 4.6822 102.4978 5.0156 5.8686 3.6242 14.6428 16.1710 31.8942 2.0842 10.9972 12.4787 8.2590 13.2446 48.8504 3.2536 389.8150 26.5995 4.8004 14.5782 3.3705 185.6039 29.6486 13.1289 12.3921 8.8356 15.3579 17.4057 1.4246 6.0263 8.3417 2.2039 5.9297 5.2038 14.1371 5.2580 27.8769 5.7825 9.6454 3.9330 3.0994 0.0763 5.2109 7.1077 1.1431 0.9837 13.9561 3.6067 2.1441 13.7003 3.1338 0.1304 131.2830 52.5226 69.8352 165.3956 1.8949 1.9660 1.4011 2.8374 3.3630 1.5735 3.0743 2.6842 0.9417 0.8017 2.3535 2.7376 1.7474 0.5356 1.3928 2.5241 0.2921 0.4489 1.0178 2.1034 2.0486 5.0179 0.6717 0.5553 0.9786 0.4452 0.4388 3.3962 1.6585 0.4870 1.6305 0.4133 1.4526 2.1997 2.5727 1.8097 2.0393 0.4899 0.6067 4.8361 4.5071 2.9119 2.9183 1.6281 4.8679 4.9735 5.0406 7.5171 4.1734 4.9420 1.5077 2.3249 1.4056 1.7364 0.6257 2.7997 14.8103 5.9765 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14.00307 1.00783 12.00000 12.00000 12.00000 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 9239.1531 18563.4839 23769.1065 0.99959 -0.02804 -0.00597 0.02804 0.99961 -0.00016 0.00597 -0.00000 0.99998 1 0.00937 0.00467 0.00364 0.19534 0.09722 0.07593 23.42 26.58 37.79 48.49 72.65 77.70 91.41 124.21 139.71 164.53 188.28 196.95 231.33 249.56 292.62 322.65 325.89 335.68 359.20 378.59 396.39 420.13 468.45 479.41 496.10 513.26 529.11 564.73 594.94 617.16 642.77 682.34 693.33 706.12 713.89 728.16 738.53 776.59 798.53 810.93 850.66 892.80 938.05 940.18 964.19 989.10 1058.09 1131.65 1160.31 1170.40 1189.09 1218.71 1241.15 1255.39 1273.80 1282.04 1298.42 1309.10 1380.08 1402.29 1418.72 1426.27 1448.65 1457.51 1464.89 1483.71 1510.43 1530.23 1545.32 1551.61 1584.37 1591.40 1602.05 1606.37 1628.46 1636.40 1637.64 1650.59 1651.82 1656.47 1683.16 1710.74 1718.13 1721.64 1750.73 1768.21 1777.55 1812.25 1834.92 1848.36 1885.79 1888.32 1922.70 1949.17 1956.79 1963.49 1964.24 1985.90 1998.68 2019.66 2028.15 2040.22 2055.27 2070.79 2083.16 2086.89 2112.14 2115.63 2130.48 2136.46 2165.01 2178.38 2194.36 2214.47 2216.44 2224.67 2229.39 2249.29 2269.39 2271.87 2283.78 2286.39 2290.87 2294.30 2308.05 2312.62 2318.33 2325.93 2332.63 2349.42 2355.01 2357.24 2362.65 2363.40 2363.97 2372.92 2380.57 2381.41 2386.27 2426.39 2478.11 2508.70 2593.72 2620.95 2689.68 2740.51 4572.57 4603.23 4624.78 4651.27 4670.12 4682.97 4694.94 4698.15 4701.28 4709.03 4712.45 4719.10 4726.74 4731.14 4736.83 4765.06 4789.30 4808.08 4831.31 4843.42 4847.20 4847.37 4849.73 4851.58 4867.27 4869.38 4870.09 4886.98 4940.48 4956.35 5228.87 5311.15 5575.94 5615.58 0.597883 0.623087 0.624031 0.539823 -1182.371491 -1182.346287 -1182.345343 -1182.429551 2.824350D-04 MUNgauss RevisionA2.0 retrievium 09-Aug-2020 DUDE C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2c3cccc4c3c(c[nH]4)C[C@@H]2[NH+](C1)CC=C C38496027 RHF 6-31G(d) (6D,10F) C1 382.273262 |X|Y|Z| 64.126760 96.017856 35.845064 60.432917 16 6 7 14 2 |36.858105| |12.733527|53.358707| |9.355490|25.698322|0.500000| |7.730294|17.300486|0.260085|36.858105| |7.588571|17.207260|0.258484|7.687448|36.858105| |6.140089|10.206671|0.198599|4.947276|12.464932|36.858105| |4.201558|6.696939|0.130797|3.837899|7.595777|12.406208|36.858105| |3.474890|5.164981|0.104882|3.046037|4.994938|7.659695|13.132460|53.358707| |3.221951|4.504073|0.089864|2.701385|4.130582|5.810150|7.783348|19.293687|36.858105| |3.439089|4.629307|0.089491|2.778373|4.232142|5.656885|6.875848|11.594277|15.726835|73.516695| |2.631178|3.638082|0.074069|2.249391|3.149199|4.111393|4.994347|10.607512|12.495939|14.181214|36.858105| |2.445427|3.462930|0.071256|2.170421|3.000256|3.844300|4.805858|10.188012|8.899698|10.547464|17.557261|0.500000| |2.614971|3.525038|0.073058|2.165028|2.915198|3.787540|4.112056|7.845319|7.520858|10.549250|12.399480|0.246433|36.858105| |2.664583|3.446515|0.070406|2.120173|2.782355|3.508520|3.604970|6.204029|6.045378|10.356967|7.461052|0.152576|12.439656|36.858105| |3.089741|3.910359|0.078967|2.358340|3.169774|4.074320|4.048815|6.765837|6.721722|12.714340|6.785984|0.138674|8.891634|17.510160|0.500000| |2.475992|3.160716|0.065484|1.965108|2.455613|2.999524|2.950958|4.807879|4.196862|7.229969|4.873783|0.113355|7.516087|12.494872|0.248719|36.858105| |2.434421|3.137375|0.066335|1.951937|2.393286|2.912914|2.808142|4.522356|3.693760|6.149100|4.199723|0.104028|6.314251|7.313110|0.170417|13.839797|36.858105| |2.196583|2.810240|0.059526|1.780121|2.096885|2.465798|2.351625|3.648594|2.907516|4.951086|3.211507|0.081895|4.322411|4.920649|0.122403|7.886271|13.508063|36.858105| |2.036048|2.575881|0.053904|1.652248|1.914894|2.206353|2.112605|3.222695|2.599611|4.551516|2.843396|0.072078|3.642234|4.363310|0.110360|6.687314|7.783486|13.833536|36.858105| |2.062669|2.591430|0.053491|1.661503|1.948975|2.247258|2.175702|3.329644|2.767745|4.960046|3.040536|0.075223|3.857355|5.036866|0.126201|7.797381|6.871213|8.064008|13.648812|36.858105| |2.257503|2.842419|0.058305|1.799086|2.180094|2.570318|2.520599|3.951052|3.415715|6.159772|3.832482|0.091163|5.080189|7.733399|0.181570|13.726138|8.088594|7.023291|7.900125|13.720284|36.858105| |2.153977|2.703192|0.054627|1.730072|2.089166|2.420160|2.409408|3.720954|3.277567|6.154941|3.620408|0.085518|4.366683|6.500501|0.163011|7.542702|5.121049|4.626692|5.285572|8.343915|13.398921|36.858105| |1.944210|2.432830|0.049225|1.579668|1.851743|2.096676|2.069334|3.123756|2.661811|4.975559|2.885311|0.070495|3.372169|4.489962|0.116807|5.333198|4.203424|4.203784|5.259038|8.495427|8.588472|14.087569|36.858105| |1.902812|2.382217|0.048714|1.547354|1.789541|2.024384|1.971797|2.969130|2.470164|4.517008|2.676714|0.066557|3.210002|4.109975|0.106291|5.379550|4.637546|5.144645|7.489229|13.906967|8.636498|8.558805|13.856363|53.358707| |1.768686|2.216843|0.045388|1.453150|1.652762|1.846748|1.794182|2.672073|2.189825|3.994718|2.352182|0.059356|2.764983|3.391024|0.088923|4.267572|3.906848|4.492763|6.512258|9.018943|6.009181|5.997843|9.052765|26.077950|0.500000| |2.246892|2.842375|0.056741|1.814949|2.251233|2.625931|2.689322|4.199427|3.884979|7.587978|4.298787|0.097767|4.825362|7.329125|0.189173|6.312125|4.342404|3.699207|3.877465|5.158864|7.557072|12.708326|7.242601|6.986170|0.114175|36.858105| |2.326730|3.016082|0.060697|1.904400|2.444139|2.949104|3.126659|5.189915|5.091562|9.358149|6.378500|0.135339|7.458112|12.217280|0.247167|7.539169|4.993132|3.902795|3.783277|4.643673|6.920426|7.713376|5.051552|5.696198|0.095735|12.305968|36.858105| |2.082412|2.732605|0.055413|1.746288|2.201807|2.623140|2.804108|4.655527|4.354577|7.594701|5.789249|0.132250|6.851234|8.767894|0.174209|6.806176|4.837993|3.881801|3.780522|4.571789|6.417917|6.878814|4.871933|5.633425|0.095747|8.818246|17.578737|0.500000| |2.364927|3.119600|0.061919|1.979222|2.607996|3.139202|3.516266|5.892458|6.205434|11.983853|7.591195|0.155206|6.500899|7.583325|0.194177|4.931791|3.765012|3.044637|2.920629|3.396070|4.489718|4.975098|3.745185|4.318970|0.075911|7.533240|12.472641|0.253237|53.358707| |2.647926|3.461340|0.067834|2.172371|2.931973|3.557949|3.977583|6.521208|7.202101|16.496679|7.233582|0.145907|6.014380|7.161279|0.215948|4.672381|3.623550|2.939167|2.811269|3.242829|4.236686|4.654550|3.555166|4.128728|0.072954|6.868564|9.166280|0.181134|25.599546|0.500000| |2.315491|3.154298|0.063254|2.002297|2.691074|3.297176|3.921159|7.096003|7.604955|12.010456|12.485784|0.250931|7.585201|6.492475|0.160341|4.388422|3.615114|2.894927|2.683450|2.972112|3.760672|3.832549|3.041898|3.697733|0.066260|4.928328|7.617057|0.198552|17.330632|0.262866|36.858105| |2.064696|2.724049|0.053757|1.770873|2.251296|2.594247|2.887173|4.562798|4.352683|8.493934|4.947755|0.115310|4.353359|4.895322|0.128666|3.761038|3.007163|2.568753|2.545162|2.971818|3.710306|4.371248|3.528770|3.977429|0.071359|6.493751|7.496509|0.190890|17.093123|0.256709|7.673070|36.858105| |2.009163|2.692685|0.052696|1.773633|2.258955|2.549976|2.921331|4.490508|4.140237|8.114641|4.408125|0.108338|3.624971|3.778074|0.103307|2.992674|2.512684|2.177193|2.137800|2.420376|2.902608|3.274165|2.777723|3.240820|0.059469|4.374026|4.893110|0.127719|10.242729|0.193602|6.501002|12.668649|36.858105| |2.030644|2.705194|0.052306|1.800332|2.265727|2.491897|2.817861|4.132565|3.687503|7.546454|3.643401|0.090448|3.073382|3.253825|0.092516|2.652005|2.257562|1.985850|1.964247|2.215631|2.608525|2.954371|2.568542|3.003612|0.055662|3.847092|3.991473|0.101710|7.541761|0.160725|4.759336|7.693671|14.437885|36.858105| |17.654177|12.311233|0.223009|7.225933|5.559766|4.689214|3.439976|4.016589|2.758988|5.165252|2.329229|0.060656|2.350941|2.404935|0.076157|2.291895|2.285620|2.104904|1.961595|1.967343|2.114498|2.010723|1.841730|2.479682|0.047443|2.062825|2.112841|0.053071|2.883589|0.064952|2.070403|1.871657|1.815474|1.833553|0.500000| |17.683692|12.247656|0.224443|5.610558|6.910571|6.877713|4.504024|5.257731|3.633662|6.905297|2.945722|0.074846|2.991925|3.085985|0.101704|2.867004|2.818117|2.506728|2.299726|2.329604|2.575931|2.423879|2.161050|2.885549|0.054269|2.516699|2.619330|0.064396|3.567722|0.081969|2.546774|2.240986|2.142993|2.141476|0.300167|0.500000| |17.645100|12.323368|0.181371|6.984153|6.961874|5.483856|4.043843|4.528172|3.164918|6.209459|2.569376|0.065889|2.510447|2.594108|0.083910|2.381861|2.295296|2.074428|1.950941|2.005965|2.204711|2.146403|1.941037|2.553117|0.048449|2.269984|2.320228|0.057392|3.257868|0.075259|2.312828|2.116452|2.079697|2.136234|0.299278|0.298833|0.500000| |7.008505|12.302591|0.181369|17.647905|7.006655|4.550140|3.696062|3.985639|2.650616|4.953347|2.198173|0.058569|2.092529|2.071012|0.064188|1.905626|1.867586|1.704432|1.597610|1.622643|1.761735|1.716116|1.569397|2.075266|0.039787|1.816080|1.889574|0.047981|2.700784|0.060883|1.989991|1.793670|1.812767|1.863704|0.176305|0.142451|0.208685|0.500000| |5.614503|12.268237|0.224409|17.655565|7.101168|4.704972|3.840720|4.125703|2.632495|4.715508|2.208500|0.060102|2.106220|2.026471|0.061810|1.874427|1.871601|1.705575|1.576675|1.579458|1.708823|1.640232|1.497823|1.999626|0.038370|1.722882|1.825669|0.046885|2.596327|0.057681|1.960089|1.711226|1.725646|1.743429|0.146529|0.125890|0.142522|0.298891|0.500000| |7.178386|12.280136|0.223784|17.654392|5.593386|4.111272|3.240839|3.656001|2.423012|4.421101|2.062190|0.055265|2.020218|1.995773|0.061352|1.882786|1.886594|1.742933|1.623175|1.621734|1.736337|1.664069|1.532933|2.059057|0.039666|1.724284|1.792308|0.045840|2.500813|0.055612|1.845688|1.651788|1.641839|1.663877|0.223585|0.146290|0.174006|0.299144|0.299391|0.500000| |5.604879|12.454235|0.221346|7.441451|17.613044|8.819269|7.062434|6.369989|3.756632|6.605079|2.948610|0.080262|2.698129|2.520799|0.077780|2.238708|2.202111|1.942612|1.772643|1.793585|1.991525|1.908680|1.702781|2.247051|0.042556|2.051541|2.240816|0.056926|3.271007|0.073786|2.531493|2.100612|2.133206|2.133442|0.126707|0.141492|0.144677|0.183438|0.229340|0.148856|0.500000| |7.080421|12.416958|0.181947|6.976485|17.611638|8.757018|6.744018|6.231872|4.015784|7.722617|3.046589|0.079623|2.777022|2.709982|0.086314|2.370754|2.267018|1.995324|1.848827|1.906595|2.138995|2.088541|1.854401|2.412067|0.045479|2.280949|2.442176|0.060732|3.608094|0.083961|2.688269|2.321736|2.361684|2.416584|0.144446|0.173426|0.214411|0.209437|0.171603|0.142998|0.301942|0.500000| |6.630864|9.039500|0.170913|4.453694|8.789025|17.603204|8.905183|9.583405|6.242222|11.799863|4.339228|0.107250|4.121232|4.019595|0.136860|3.390242|3.218253|2.693652|2.420829|2.497114|2.898662|2.732019|2.337791|3.051829|0.056347|2.979590|3.311793|0.079760|4.735530|0.112451|3.507244|2.821294|2.714751|2.658445|0.137071|0.233053|0.168451|0.117457|0.112473|0.106822|0.173006|0.212852|0.500000| |5.617085|9.468340|0.216704|4.673495|8.822483|17.523185|8.844239|9.477801|5.182614|8.416457|3.963604|0.105663|3.825967|3.450795|0.108506|3.042336|3.062264|2.592759|2.275878|2.271135|2.568123|2.362968|2.057855|2.748857|0.051313|2.504788|2.830407|0.071028|3.978211|0.089470|3.109342|2.413925|2.341052|2.256686|0.126892|0.178514|0.131144|0.113734|0.126822|0.112250|0.208095|0.172666|0.301439|0.500000| |3.756545|6.293698|0.126141|3.805365|6.921705|8.801157|17.596802|12.628129|5.843759|9.032858|4.282549|0.121695|3.573783|3.089446|0.093194|2.604873|2.528015|2.152802|1.934865|1.971796|2.246664|2.144693|1.868678|2.442290|0.045723|2.362917|2.727753|0.069619|4.139342|0.092665|3.451474|2.572023|2.638924|2.547442|0.088030|0.107800|0.099616|0.100484|0.110998|0.088878|0.211981|0.165539|0.174049|0.212418|0.500000| |4.038970|6.207334|0.115489|3.712081|6.983568|8.823914|17.617152|12.560632|7.345713|13.431726|4.702317|0.122566|3.772803|3.448343|0.108436|2.795946|2.599681|2.200180|2.013747|2.105303|2.445138|2.396719|2.061986|2.637161|0.049009|2.731723|3.125236|0.077198|4.965442|0.117731|3.975533|3.059522|3.189466|3.154894|0.091617|0.117304|0.113968|0.103885|0.101785|0.086640|0.177272|0.202710|0.212646|0.173584|0.302530|0.500000| |3.095851|4.661853|0.097315|2.816687|4.321301|6.133753|9.027348|26.052081|9.416388|10.878447|7.436710|0.234206|5.691969|4.225482|0.121291|3.390382|3.289651|2.663779|2.325235|2.365240|2.769441|2.572919|2.181011|2.855498|0.052701|2.846763|3.539491|0.091328|5.324785|0.114500|4.898034|3.093213|3.039422|2.760969|0.074848|0.094481|0.081328|0.074333|0.079294|0.069828|0.117839|0.108052|0.151968|0.173354|0.233152|0.184712|0.500000| |2.835888|3.855130|0.081479|2.328078|3.162194|4.235064|4.418511|8.440282|7.037511|9.686854|8.831366|0.209177|17.593096|8.845491|0.215186|6.861499|6.766989|4.540154|3.646402|3.677912|4.605998|3.829220|3.067535|4.105022|0.073125|4.017227|5.457364|0.139810|6.650873|0.133759|5.524168|3.537539|3.072224|2.696654|0.070815|0.091391|0.073949|0.061563|0.062996|0.060440|0.081127|0.081441|0.126784|0.124541|0.106963|0.107382|0.175953|0.500000| |2.289647|3.104082|0.064672|1.945144|2.530129|3.168105|3.440012|6.262422|5.526618|8.081171|8.892406|0.222734|17.554714|8.850097|0.174150|6.941148|6.232124|4.406321|3.702521|3.858563|4.914865|4.188831|3.316700|4.363386|0.077213|4.454741|6.700929|0.200614|7.700135|0.136876|6.800705|4.109961|3.417747|2.860492|0.058070|0.071593|0.061127|0.052221|0.052951|0.050800|0.066206|0.067063|0.093317|0.090003|0.086325|0.088473|0.132841|0.304302|0.500000| |2.531994|3.327677|0.071361|2.053600|2.551748|3.164671|3.050684|5.002376|3.944677|6.301771|4.487744|0.114396|6.880553|6.587752|0.158716|8.870021|17.727720|8.918017|5.614341|4.953936|5.683179|4.097657|3.426785|5.003721|0.089014|3.732796|4.454464|0.120307|4.888372|0.096883|3.638724|2.849288|2.441503|2.193532|0.065801|0.081552|0.065408|0.054030|0.055101|0.054945|0.065633|0.066012|0.095382|0.094985|0.076789|0.076571|0.103614|0.236450|0.187834|0.500000| |2.121544|2.738617|0.058632|1.744969|2.022706|2.357079|2.234310|3.428933|2.657280|4.479484|2.900387|0.075827|3.778682|4.019720|0.102482|5.645560|8.898470|17.727469|9.002048|5.702363|5.030677|3.669610|3.428428|5.605107|0.105087|3.069074|3.256902|0.090635|3.616296|0.071667|2.589757|2.273091|1.968497|1.806718|0.057045|0.066761|0.055171|0.046094|0.046664|0.047745|0.052479|0.053034|0.070385|0.069892|0.057569|0.057627|0.070481|0.113695|0.107977|0.218314|0.500000| |1.882384|2.384017|0.049961|1.546413|1.755657|1.990593|1.901275|2.858058|2.271067|3.985635|2.454837|0.063188|3.034548|3.501716|0.090495|4.856106|5.570884|8.910312|17.730602|8.785112|5.605359|4.279630|4.537495|8.886732|0.180256|3.259980|3.140922|0.087859|3.427025|0.067609|2.335726|2.247973|1.920249|1.780592|0.050918|0.058425|0.050134|0.041539|0.041050|0.042477|0.045402|0.047134|0.060092|0.057131|0.048835|0.050475|0.057528|0.084949|0.086118|0.123939|0.216226|0.500000| |1.816781|2.275167|0.045801|1.492935|1.729751|1.930110|1.912869|2.850798|2.412078|4.547690|2.583205|0.063785|2.909747|3.713272|0.098659|4.137888|3.401192|3.416921|4.151969|5.869610|5.817677|8.642863|17.790157|12.208592|0.213652|6.125176|4.291156|0.116055|4.634509|0.090305|2.773267|3.377947|2.704284|2.541491|0.047969|0.055458|0.050811|0.041444|0.039339|0.040291|0.044348|0.048481|0.059402|0.052307|0.048253|0.053446|0.055262|0.073784|0.079649|0.079902|0.080386|0.104966|0.500000| |2.464876|3.066989|0.060510|1.948653|2.430645|2.820846|2.849855|4.343453|4.033406|8.368030|4.142158|0.093590|4.453792|6.570992|0.198335|5.481419|3.956792|3.391241|3.515914|4.504163|6.179075|8.856424|6.039821|6.126378|0.103214|17.483408|8.803546|0.173721|9.566800|0.207815|4.612571|6.061620|4.372182|4.061221|0.062367|0.076992|0.070088|0.054563|0.050909|0.051287|0.060720|0.069308|0.090799|0.073398|0.068598|0.081662|0.079909|0.106723|0.109489|0.096723|0.079501|0.083425|0.149792|0.500000| |2.027357|2.586174|0.051490|1.676102|2.049225|2.345414|2.433244|3.752902|3.407338|6.613392|3.784164|0.088881|4.030761|5.399518|0.139222|4.803092|3.584207|3.170506|3.368734|4.363823|5.684293|8.955790|6.635941|6.290237|0.107023|17.624889|8.749465|0.216288|9.245533|0.165363|4.570223|7.267491|4.714603|4.122778|0.051991|0.062065|0.057279|0.046835|0.044403|0.044269|0.052415|0.058057|0.072611|0.062027|0.060239|0.069386|0.071364|0.094170|0.107421|0.087575|0.074848|0.081187|0.175288|0.302221|0.500000| |2.070823|2.825218|0.057150|1.815548|2.365768|2.841587|3.300895|5.795047|5.532971|8.726962|8.844613|0.221125|6.840370|5.768484|0.134254|4.244825|3.561812|2.895691|2.695663|2.972133|3.698706|3.748569|3.026369|3.707253|0.066718|4.632312|7.020409|0.218364|12.404264|0.182868|17.604343|6.991876|5.799536|4.210257|0.052135|0.062892|0.057164|0.049948|0.049610|0.046884|0.062554|0.065204|0.082837|0.076126|0.083346|0.091512|0.117048|0.139816|0.200431|0.099095|0.072184|0.065438|0.076796|0.114521|0.123800|0.500000| |2.271960|3.132769|0.062211|2.011813|2.715265|3.255212|4.018996|6.993753|7.098501|11.738440|8.832558|0.212692|5.515387|4.872310|0.129117|3.549769|3.024807|2.497513|2.338017|2.566321|3.142602|3.253723|2.672236|3.254984|0.059197|4.128528|5.578232|0.145896|12.409637|0.225986|17.687783|7.291072|7.763825|5.553883|0.056249|0.068309|0.063718|0.056025|0.055007|0.051141|0.071718|0.076451|0.094310|0.083663|0.099582|0.117730|0.132698|0.123685|0.139636|0.085149|0.063047|0.057465|0.069140|0.111770|0.110355|0.301502|0.500000| |2.070940|2.687547|0.052780|1.752085|2.191274|2.491382|2.695199|4.135474|3.857184|7.807179|4.150002|0.097199|3.863766|4.611746|0.125729|3.696910|2.931170|2.549642|2.583013|3.080315|3.827028|4.793494|3.906728|4.244611|0.076006|7.550997|6.961734|0.168611|12.376070|0.225750|5.632457|17.722392|8.994317|7.363316|0.052353|0.062447|0.059440|0.049539|0.046660|0.045627|0.056339|0.063261|0.076261|0.064210|0.066496|0.079648|0.077287|0.089846|0.100381|0.075799|0.062335|0.063578|0.106374|0.207155|0.259537|0.143074|0.148513|0.500000| |1.885619|2.499447|0.049772|1.634744|2.043897|2.345994|2.594238|4.121781|3.800412|7.027077|4.554088|0.110500|4.187588|4.594223|0.114699|3.704480|2.993887|2.587013|2.580025|3.011446|3.706117|4.345767|3.578618|4.053084|0.072978|6.045606|7.069736|0.212807|12.373059|0.181256|6.897813|17.602689|8.846206|5.820443|0.047940|0.056732|0.053231|0.045736|0.044098|0.042609|0.053462|0.057924|0.070027|0.061707|0.065315|0.074903|0.079777|0.094182|0.116222|0.078405|0.063637|0.063503|0.095458|0.143991|0.198856|0.206614|0.174347|0.301697|0.500000| |1.900132|2.585157|0.050898|1.712592|2.176979|2.453893|2.863189|4.444366|3.986032|7.379307|4.384428|0.113161|3.513903|3.472013|0.093078|2.788653|2.394142|2.078737|2.022418|2.251816|2.663937|2.919567|2.508566|2.989692|0.055259|3.719596|4.311062|0.118091|8.504884|0.155784|6.499504|8.587425|17.711015|9.180531|0.047844|0.056001|0.054237|0.048416|0.046723|0.043995|0.057921|0.062677|0.071132|0.063160|0.073287|0.086002|0.085535|0.083122|0.094327|0.065501|0.052712|0.050707|0.067593|0.100806|0.109791|0.171880|0.234520|0.173437|0.212417|0.500000| |2.103732|2.754211|0.052956|1.831213|2.280980|2.490100|2.738503|3.948626|3.515067|7.434565|3.393715|0.083014|2.969605|3.265125|0.094957|2.693394|2.274985|2.014242|2.013421|2.294877|2.700176|3.123965|2.729773|3.148773|0.058303|4.112761|4.000412|0.099236|7.170882|0.160232|4.236517|6.987419|9.060837|17.695554|0.052808|0.061727|0.062057|0.052928|0.048786|0.047188|0.058960|0.068137|0.075022|0.062382|0.068107|0.085200|0.072592|0.073068|0.075997|0.060761|0.050677|0.050723|0.075795|0.126162|0.122931|0.103784|0.129102|0.219889|0.146108|0.173549|0.500000| 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