Version2.0 2020-01-10T01:08:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N(C)C[C@H]4CCCO4 C36643426 RHF 6-31G(d) (6D,7F) Cc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N(C)C[C@H]4CCCO4 C01[X(C26H35N4O4S2)] 207 C1 618 C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C[C@H]1CCCO1)C)c1sc2c(n1)c(C)ccc2)C C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C[C@H]1CCCO1)C)c1sc2c(n1)c(C)ccc2)C CN(C[C@H]1CCCO1)[S](=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3sc4cccc(C)c4n3 InChIKey=GTJZPUBSTYINGB-OAQYLSRUSA-O InChI=1S/C26H34N4O4S2/c1-19-8-5-10-23-24(19)27-26(35-23)30(16-7-15-28(2)3)25(31)20-11-13-22(14-12-20)36(32,33)29(4)18-21-9-6-17-34-21/h5,8,10-14,21H,6-7,9,15-18H2,1-4H3/p+1/t21-/m1/s1 InChI=1/C26H34N4O4S2/c1-19-8-5-10-23-24(19)27-26(35-23)30(16-7-15-28(2)3)25(31)20-11-13-22(14-12-20)36(32,33)29(4)18-21-9-6-17-34-21/h5,8,10-14,21H,6-7,9,15-18H2,1-4H3/p+1/t21-/m1/s1/fC26H35N4O4S2/h28H/q+1 Cc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N(C)C[C@H]4CCCO4 C01[X(C26H35N4O4S2)] 207 C01 618 C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C[C@H]1CCCO1)C)c1sc2c(n1)c(C)ccc2)C C[NH](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C[C@H]1CCCO1)C)c1sc2c(n1)c(C)ccc2)C CN(C[C@H]1CCCO1)[S](=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH](C)C)c3sc4cccc(C)c4n3 InChIKey=DPHMDJCAHPLXOE-OAQYLSRUSA-N InChI=1S/C26H35N4O4S2/c1-19-8-5-10-23-24(19)27-26(35-23)30(16-7-15-28(2)3)25(31)20-11-13-22(14-12-20)36(32,33)29(4)18-21-9-6-17-34-21/h5,8,10-14,21,28H,6-7,9,15-18H2,1-4H3/t21-/m1/s1 InChI=1/C26H35N4O4S2/c1-19-8-5-10-23-24(19)27-26(35-23)30(16-7-15-28(2)3)25(31)20-11-13-22(14-12-20)36(32,33)29(4)18-21-9-6-17-34-21/h5,8,10-14,21,28H,6-7,9,15-18H2,1-4H3/t21-/m1/s1 4308.7185574068 -2316.9443192 1-A 30505.4452 141 477 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26967 -92.06064 -20.64767 -20.61918 -20.61153 -20.61148 -15.86552 -15.72568 -15.66238 -15.65686 -11.46878 -11.44822 -11.44734 -11.44520 -11.44340 -11.39750 -11.38004 -11.35256 -11.34976 -11.34863 -11.34295 -11.34267 -11.34149 -11.33928 -11.33422 -11.33371 -11.33072 -11.32809 -11.32741 -11.32541 -11.31849 -11.31609 -11.30932 -11.30814 -11.28604 -11.28067 -9.24099 -9.06976 -6.92744 -6.92705 -6.92596 -6.75192 -6.75098 -6.74903 -1.53865 -1.52126 -1.50199 -1.44710 -1.41816 -1.41125 -1.34437 -1.31845 -1.26602 -1.23123 -1.22398 -1.17110 -1.16420 -1.15259 -1.12884 -1.12483 -1.12216 -1.10920 -1.09808 -1.08162 -1.06329 -1.03621 -1.02613 -1.01495 -0.99662 -0.98228 -0.94517 -0.93012 -0.91378 -0.89679 -0.87941 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6.3710 31.7309 37.9244 18.3758 9.0190 20.4229 4.2107 3.2128 6.2946 7.3948 242.5645 2.7872 20.5273 44.5533 125.5325 101.8265 163.2602 84.6462 58.1700 69.2219 37.3134 83.8558 49.1494 67.4550 214.5390 26.0091 22.8730 157.2446 88.0330 109.9784 108.7153 83.9509 78.6271 68.6253 28.7211 49.8708 56.0285 19.3477 45.1449 23.9724 76.3157 44.4854 92.1150 76.8443 103.9622 35.8006 47.2111 258.2887 148.7272 70.4053 31.7793 0.7220 0.7500 0.7251 0.7338 0.5606 0.7474 0.6632 0.7495 0.6535 0.7437 0.7486 0.6889 0.6598 0.7321 0.6550 0.7477 0.4260 0.3448 0.7264 0.4950 0.7325 0.4843 0.6893 0.5220 0.6081 0.5591 0.2708 0.2163 0.7499 0.5565 0.6550 0.4820 0.6517 0.4310 0.5745 0.4091 0.5959 0.5759 0.6416 0.6792 0.6969 0.2602 0.3242 0.1948 0.6526 0.5748 0.3529 0.1519 0.2951 0.4764 0.2103 0.6706 0.2658 0.7500 0.7071 0.3771 0.4762 0.2049 0.7458 0.7398 0.7433 0.6395 0.4013 0.1686 0.0474 0.0315 0.3067 0.0700 0.6242 0.7495 0.7461 0.7400 0.1724 0.0430 0.3368 0.2476 0.2037 0.3397 0.1489 0.0988 0.1053 0.1937 0.7467 0.6837 0.5544 0.5144 0.7164 0.4803 0.5519 0.3331 0.6979 0.7193 0.4719 0.6922 0.4736 0.1326 0.2662 0.7431 0.4856 0.7471 0.2503 0.1641 0.3806 0.3266 0.5061 0.5624 0.0525 0.3245 0.0851 0.7182 0.5952 0.4125 0.2793 0.2094 0.1084 0.3989 0.4848 0.7342 0.1947 0.6696 0.1952 0.5610 0.7423 0.2717 0.3212 0.6526 0.2657 0.6656 0.6594 0.3526 0.5990 0.6182 0.7325 0.4450 0.7326 0.6027 0.5199 0.3169 0.5419 0.6835 0.2584 0.7405 0.7494 0.6014 0.4140 0.3465 0.5877 0.7499 0.7481 0.7249 0.7453 0.7494 0.6520 0.4466 0.7243 0.7496 0.7336 0.4647 0.4138 0.4975 0.7334 0.6802 0.6892 0.2689 0.3264 0.7174 0.3057 0.7317 0.6956 0.6375 0.4552 0.1982 0.0897 0.2700 0.4490 0.2068 0.5831 0.0844 0.5385 0.5821 0.0404 0.0369 0.6022 0.0319 0.4077 0.0365 0.2470 0.6052 0.7483 0.6592 0.4796 0.7468 0.3140 0.4694 0.5572 0.6865 0.5174 0.7489 0.7283 0.3508 0.5976 0.7437 0.7229 0.1696 0.2002 0.1785 0.2589 0.8386 0.8571 0.8406 0.8464 0.7185 0.8555 0.7975 0.8568 0.7904 0.8530 0.8562 0.8158 0.7951 0.8453 0.7916 0.8556 0.5974 0.5128 0.8415 0.6622 0.8456 0.6525 0.8161 0.6859 0.7563 0.7172 0.4262 0.3556 0.8571 0.7151 0.7915 0.6504 0.7891 0.6024 0.7297 0.5806 0.7468 0.7309 0.7817 0.8089 0.8214 0.4129 0.4897 0.3261 0.7898 0.7300 0.5217 0.2637 0.4558 0.6454 0.3475 0.8028 0.4200 0.8571 0.8284 0.5477 0.6452 0.3401 0.8544 0.8505 0.8527 0.7801 0.5728 0.2886 0.0905 0.0611 0.4694 0.1308 0.7686 0.8568 0.8546 0.8506 0.2941 0.0825 0.5039 0.3970 0.3385 0.5071 0.2591 0.1798 0.1905 0.3245 0.8550 0.8122 0.7134 0.6793 0.8347 0.6490 0.7113 0.4997 0.8220 0.8368 0.6412 0.8181 0.6428 0.2342 0.4205 0.8526 0.6537 0.8552 0.4004 0.2819 0.5513 0.4924 0.6721 0.7199 0.0998 0.4900 0.1568 0.8360 0.7462 0.5841 0.4367 0.3463 0.1956 0.5703 0.6530 0.8467 0.3259 0.8021 0.3266 0.7188 0.8521 0.4274 0.4862 0.7898 0.4199 0.7992 0.7947 0.5214 0.7492 0.7641 0.8456 0.6159 0.8457 0.7521 0.6842 0.4813 0.7029 0.8120 0.4106 0.8509 0.8567 0.7511 0.5856 0.5147 0.7403 0.8570 0.8559 0.8405 0.8541 0.8567 0.7893 0.6174 0.8401 0.8569 0.8463 0.6345 0.5854 0.6644 0.8462 0.8096 0.8160 0.4238 0.4922 0.8355 0.4683 0.8451 0.8205 0.7786 0.6256 0.3309 0.1647 0.4252 0.6198 0.3427 0.7367 0.1556 0.7000 0.7359 0.0776 0.0712 0.7517 0.0619 0.5792 0.0704 0.3961 0.7541 0.8560 0.7946 0.6483 0.8551 0.4779 0.6389 0.7156 0.8141 0.6819 0.8564 0.8428 0.5194 0.7481 0.8530 0.8392 0.2900 0.3336 0.3029 0.4113 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 69 70 71 6 6 6 6 6 6 6 7 6 16 7 6 6 6 7 1 6 6 6 8 6 6 6 6 6 6 16 8 8 7 6 6 6 1 6 6 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 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10082.1492 46763.3464 53469.6840 0.99984 0.01747 -0.00316 -0.01745 0.99982 0.00708 0.00328 -0.00702 0.99997 1 0.00859 0.00185 0.00162 0.17900 0.03859 0.03375 14.86 21.49 25.83 31.40 42.66 45.35 58.33 74.79 80.39 98.76 105.38 120.55 134.12 141.68 155.17 183.10 198.53 210.64 217.05 220.36 244.75 249.28 262.28 289.25 322.34 330.55 348.26 354.42 370.97 382.93 391.58 417.25 424.78 465.62 481.23 491.79 531.31 548.16 569.54 587.80 593.45 618.89 650.87 660.22 663.28 693.41 710.77 723.82 773.05 779.51 801.87 820.47 836.11 840.69 875.55 893.26 934.86 955.81 973.61 989.76 1014.51 1037.17 1077.04 1093.39 1135.71 1156.07 1193.81 1205.47 1210.05 1237.33 1254.72 1262.38 1280.33 1299.94 1355.70 1374.71 1383.84 1384.31 1389.83 1414.79 1431.17 1446.73 1472.35 1474.56 1496.13 1509.07 1547.29 1568.00 1572.92 1584.30 1593.65 1596.78 1608.44 1613.97 1642.45 1644.85 1654.69 1666.75 1671.48 1689.52 1696.21 1703.16 1716.77 1731.61 1747.87 1796.27 1801.36 1803.92 1820.81 1827.14 1844.98 1869.12 1870.75 1878.09 1888.96 1895.49 1902.17 1923.38 1951.87 1964.71 1971.39 1973.48 2002.50 2010.72 2022.82 2056.73 2066.27 2074.45 2092.45 2095.48 2105.59 2114.98 2119.95 2129.62 2150.48 2167.28 2205.72 2218.59 2236.44 2237.45 2247.06 2266.58 2275.66 2276.67 2279.34 2283.81 2292.27 2325.70 2326.36 2334.33 2340.98 2353.70 2356.43 2358.65 2360.53 2362.26 2363.27 2364.17 2366.96 2373.35 2377.97 2380.25 2385.86 2389.52 2417.94 2424.85 2464.71 2534.78 2566.70 2580.81 2608.00 2849.67 4583.13 4619.38 4626.75 4630.97 4636.93 4646.94 4655.04 4664.10 4665.19 4694.06 4705.79 4712.63 4712.92 4722.40 4729.04 4735.71 4743.17 4753.37 4774.03 4778.72 4825.18 4825.84 4828.75 4840.52 4843.13 4845.94 4850.05 4861.05 4865.71 4876.63 4886.38 4888.18 4908.45 4920.12 5316.78 0.640692 0.674550 0.675494 0.569265 -2316.303627 -2316.269769 -2316.268825 -2316.375055 3.562972D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE Cc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N(C)C[C@H]4CCCO4 C36643426 RHF 6-31G(d) (6D,10F) C1 531.209974 |X|Y|Z| 69.310131 33.586767 156.758444 71.460374 25 6 7 8 16 19 3 1 2 |36.858105| |12.636753|36.858105| |7.556896|13.805303|36.858105| |4.991255|7.841605|13.627068|36.858105| |4.389012|6.724466|7.899207|13.845703|36.858105| |5.002866|7.871563|6.963990|8.052331|13.706578|36.858105| |7.515893|13.601997|8.027595|6.900226|7.848164|13.739114|36.858105| |6.387820|7.696618|5.165616|4.594923|5.230495|8.152033|13.695035|53.358707| |4.489225|5.383723|4.175254|4.070621|4.991899|7.837127|8.647205|20.294190|36.858105| |3.746839|4.860879|4.265876|4.707861|6.741332|10.906586|7.404701|10.026335|10.873246|388.023441| |3.655779|3.991623|3.230516|3.135464|3.670994|4.995735|5.405941|11.205406|13.638339|48.658785|53.358707| |3.781100|3.786316|3.013241|2.805591|3.108608|4.015392|4.700932|9.724569|7.902346|33.226242|17.756882|36.858105| |3.931538|3.744781|2.970537|2.705541|2.910716|3.652426|4.393170|8.547457|6.040392|28.063881|10.326887|12.336151|36.858105| |4.523840|3.894466|3.044955|2.665280|2.750236|3.346216|4.201152|7.628784|4.768136|23.731182|7.049941|7.590270|12.514701|36.858105| |3.973327|3.367174|2.743634|2.403875|2.430361|2.843313|3.455122|5.695536|3.652122|19.788235|5.241860|4.913745|7.520223|12.610755|53.358707| |3.303479|2.907786|2.426946|2.173374|2.220507|2.579585|3.034607|4.977919|3.349222|18.471614|4.995078|4.684415|7.107725|9.301010|25.708816|0.500000| |3.837132|3.108539|2.588617|2.239941|2.210717|2.516001|3.038673|4.752623|3.024866|17.085085|4.225028|3.831905|4.956802|7.698069|17.360344|0.260236|36.858105| |4.132094|3.570826|2.938467|2.569890|2.579515|2.988310|3.613207|5.698450|3.628972|20.314310|4.967206|4.229217|6.231587|7.584408|17.345888|0.260118|7.740635|36.858105| |2.910343|3.193661|2.733609|2.748331|3.251788|4.165639|4.116666|7.229823|7.841813|43.623693|18.613562|7.606408|5.339481|3.896923|4.254777|0.085606|2.592643|2.994686|36.858105| |2.731263|3.092842|2.730456|2.841298|3.467327|4.367383|3.997274|6.464137|6.953245|50.647870|11.511319|5.340340|4.108989|3.220401|3.637381|0.072692|2.275124|2.619340|15.995709|73.516695| |2.489505|2.626607|2.284255|2.272348|2.596131|3.155903|3.189507|5.404201|5.038074|29.498917|10.425111|6.483787|5.000850|3.668072|4.135552|0.086513|2.523279|2.846890|12.690119|14.463728|36.858105| |2.183572|2.293523|2.034977|2.039122|2.310236|2.725121|2.716369|4.412562|3.947064|24.817489|7.216580|4.812103|3.806435|3.035864|3.499028|0.073368|2.214409|2.391149|7.682053|11.569927|13.720721|36.858105| |1.930806|1.995110|1.788882|1.784516|1.986148|2.289281|2.299462|3.658363|3.124459|19.924166|5.411204|3.871042|3.305082|2.721545|3.244215|0.069338|2.078600|2.209328|5.064434|7.971178|7.924348|13.758874|36.858105| |1.897273|1.936943|1.733165|1.715336|1.890401|2.171768|2.209257|3.520407|2.943671|18.481002|5.070524|3.763119|3.436175|2.805560|3.431004|0.075027|2.172794|2.338938|4.475229|6.871270|6.907635|7.974022|13.740094|36.858105| |2.082415|2.120593|1.876230|1.844748|2.034996|2.367567|2.436409|3.953287|3.311271|20.153942|5.854322|4.388722|4.212929|3.265010|4.008121|0.088880|2.453339|2.751615|5.029812|7.339471|7.932592|6.858140|7.888455|13.747241|36.858105| |2.410174|2.489616|2.165865|2.129726|2.387159|2.858771|2.949507|4.959366|4.342940|25.249433|8.377327|5.937502|5.432644|3.854018|4.519366|0.097827|2.685445|3.126649|7.553452|9.846725|13.722003|7.919258|6.850290|7.971496|13.770018|36.858105| |1.630887|1.649359|1.496665|1.480580|1.608614|1.807598|1.837856|2.853148|2.313797|14.893451|3.774972|2.842493|2.710313|2.330262|2.957080|0.065156|1.922594|2.027452|3.156524|5.081904|4.198172|4.713203|6.897738|10.693570|7.002509|4.745620|388.023441| |1.633844|1.632138|1.476779|1.448159|1.558676|1.748964|1.800701|2.798329|2.227453|14.138085|3.605007|2.789732|2.780222|2.415494|3.143691|0.070686|2.039520|2.148224|2.896288|4.601515|3.729248|3.855195|4.973090|7.413753|6.625846|4.486651|94.481102|73.516695| |1.514616|1.547861|1.420615|1.420041|1.548085|1.721295|1.723245|2.631372|2.143780|14.231946|3.418861|2.489730|2.373739|2.052226|2.621339|0.057060|1.714915|1.834046|2.898666|4.844283|3.705013|4.188002|5.772228|7.295720|5.399352|4.037061|94.854926|13.682436|73.516695| |1.560653|1.569112|1.427324|1.408280|1.521028|1.700202|1.734471|2.678790|2.149899|13.854023|3.466578|2.653666|2.475050|2.192789|2.760914|0.060347|1.834756|1.864596|2.851445|4.635092|3.646403|4.305974|6.175334|7.074440|4.917602|3.808060|82.948967|13.468674|13.658604|53.358707| |1.598894|1.584595|1.433169|1.399105|1.497572|1.676662|1.736385|2.695942|2.126644|13.437808|3.424343|2.722426|2.562547|2.321073|2.929942|0.064584|1.967871|1.937520|2.718268|4.345589|3.396988|3.843431|5.009827|5.657439|4.448320|3.575215|51.514951|11.814957|8.929916|17.774903|36.858105| |1.407792|1.421267|1.307139|1.297570|1.398209|1.543774|1.560411|2.370260|1.894437|12.496787|2.980085|2.241084|2.092182|1.883642|2.389523|0.051700|1.609849|1.632268|2.446115|4.095110|2.990184|3.532608|4.712132|4.883570|3.685682|3.034884|50.424085|9.321135|11.972840|17.671172|7.650529|36.858105| |1.398195|1.418384|1.308896|1.304449|1.408581|1.551017|1.558889|2.356076|1.888893|12.588280|2.949489|2.197282|2.004999|1.817063|2.276703|0.048661|1.544646|1.553575|2.434227|4.139978|2.909866|3.557602|4.569363|4.217407|3.237894|2.814038|35.638441|6.871461|8.729361|10.430776|5.821681|12.485527|36.858105| |1.427244|1.439038|1.323825|1.312488|1.411647|1.557071|1.576311|2.389463|1.902589|12.549756|2.972125|2.249693|2.040473|1.868941|2.330733|0.049776|1.592034|1.574093|2.417946|4.075396|2.865216|3.481721|4.339951|3.970016|3.115344|2.750761|31.854610|6.460721|7.305069|9.486863|6.293227|8.856959|17.561609|0.500000| |1.263320|1.284390|1.196769|1.198035|1.288885|1.402797|1.401145|2.088005|1.663230|11.277618|2.544062|1.877109|1.730527|1.585938|2.006621|0.042669|1.373512|1.382758|2.080580|3.604064|2.405943|2.852390|3.444736|3.228856|2.619828|2.330739|26.899106|5.514401|7.067479|6.740885|4.103514|7.506520|12.393084|0.242786|36.858105| |1.258635|1.292360|1.209853|1.221268|1.322479|1.435117|1.417226|2.100592|1.688881|11.649836|2.570952|1.856761|1.705601|1.548477|1.955509|0.041381|1.330667|1.362011|2.136775|3.771351|2.455022|2.932530|3.497555|3.208396|2.612544|2.351439|25.839802|5.203017|7.288841|5.840106|3.440207|5.848323|7.955172|0.161512|12.445004|36.858105| |1.380278|1.426177|1.329236|1.345353|1.469292|1.607030|1.580380|2.357932|1.921006|13.262439|2.955672|2.110741|1.897220|1.702960|2.118870|0.044655|1.431605|1.471338|2.510719|4.459235|2.913850|3.652810|4.391337|3.731539|2.955081|2.697599|27.855345|5.420041|7.646274|6.241920|3.629400|5.603708|8.144089|0.172577|8.057283|12.507256|36.858105| |1.479691|1.517787|1.399928|1.404967|1.532821|1.695588|1.687292|2.555748|2.083724|14.026253|3.277227|2.384654|2.130667|1.900365|2.350118|0.049879|1.579648|1.612346|2.787110|4.806482|3.365456|4.359363|5.717131|4.742281|3.531968|3.131043|35.824218|6.613770|9.128394|8.994310|4.903751|7.930319|13.496888|0.260759|8.087662|8.144386|13.464438|73.516695| |17.505360|8.847776|5.947531|4.303538|3.931280|4.542139|6.581038|8.480859|4.429650|25.520914|5.064910|3.936569|4.405339|5.234356|6.539981|0.107060|4.530905|5.291767|2.940828|4.824478|2.551696|2.206843|1.964686|1.959417|2.183197|2.530470|11.983190|3.032130|2.771802|2.174894|1.639992|1.433263|1.410590|0.039906|1.271243|1.264584|1.381989|2.644200|0.500000| |17.551208|8.849022|5.831021|4.262279|3.939307|4.609842|6.766580|8.917523|4.601710|26.129726|5.246344|4.160688|4.174770|5.008112|5.644752|0.095580|4.081485|4.006580|3.029340|4.983576|2.601874|2.296452|2.024309|1.976005|2.154281|2.491878|12.027632|3.004984|2.770602|2.223801|1.687200|1.468641|1.464628|0.041793|1.317161|1.305435|1.436415|2.753150|0.301164|0.500000| |17.594442|8.871407|7.260136|4.739441|3.942716|4.172716|5.561264|6.416339|3.603079|22.594527|4.123988|3.126166|3.251133|3.738610|4.702443|0.081231|3.493638|3.610163|2.501852|4.229570|2.181569|1.945660|1.742103|1.714485|1.865089|2.121488|10.632561|2.667991|2.480665|1.957407|1.475074|1.307001|1.299869|0.036874|1.182471|1.177150|1.283507|2.433824|0.302153|0.301548|0.500000| |7.013619|8.971007|17.714267|8.921558|5.647463|4.999116|5.680385|5.656348|3.428401|24.452064|3.783210|2.663734|2.668527|2.803341|3.529717|0.063760|2.514619|2.778828|2.387532|4.216812|2.044072|1.840316|1.638998|1.596136|1.720755|1.957968|9.919906|2.458936|2.355148|1.818651|1.347362|1.228414|1.229153|0.034588|1.128646|1.137523|1.242192|2.322216|0.155074|0.150280|0.223369|0.500000| |4.086669|5.619075|8.897629|17.730118|8.963299|5.690929|4.967384|4.967055|3.330180|27.416088|3.643290|2.423163|2.350931|2.327327|2.909884|0.054179|2.018136|2.284864|2.406190|4.449918|2.030315|1.846556|1.633857|1.572690|1.679642|1.912859|9.763369|2.387958|2.354673|1.782520|1.299263|1.215022|1.223115|0.034143|1.130828|1.154582|1.265806|2.335744|0.100099|0.098851|0.113259|0.216539|0.500000| |3.518258|4.875626|5.617028|8.905605|17.733010|8.848433|5.599517|5.775175|4.311836|44.247537|4.535781|2.797606|2.605599|2.433368|2.958665|0.055954|1.982094|2.299169|3.089834|6.042373|2.491070|2.248686|1.939690|1.837016|1.960310|2.280013|11.173246|2.689802|2.715267|2.021120|1.450445|1.374751|1.389485|0.038510|1.278643|1.321237|1.468450|2.699398|0.089658|0.089857|0.089897|0.124072|0.214630|0.500000| |3.149468|3.135894|2.589164|2.446306|2.697599|3.355963|3.753523|7.001082|5.800938|28.165905|12.531262|17.698332|8.794374|6.128032|5.910418|0.121292|3.502426|3.670166|7.435326|9.157092|7.727791|5.836187|4.683345|4.515536|5.191749|6.929499|23.317020|5.658863|4.959052|4.203219|3.202675|2.543478|2.488108|0.071266|2.081904|2.040397|2.339208|4.808569|0.090369|0.096099|0.074671|0.064606|0.059769|0.068921|0.500000| |4.270346|4.169528|3.242835|2.954237|3.219268|4.156026|5.087919|10.615355|7.533740|32.321094|12.614337|17.631596|8.788804|7.656613|6.495612|0.121328|3.951119|4.020086|5.963732|8.270000|5.010605|4.105167|3.372353|3.214293|3.576782|4.493867|17.951251|4.396501|3.968192|3.299659|2.516863|2.082590|2.071872|0.059520|1.786409|1.759370|1.994408|3.974028|0.119308|0.138164|0.096727|0.079671|0.070445|0.079286|0.304139|0.500000| |4.171198|4.116614|3.244475|2.967110|3.222846|4.107776|4.952981|9.604865|6.738877|31.282937|10.351645|8.869948|17.650933|8.870195|9.136953|0.170372|4.504632|6.811250|5.333132|7.543851|4.713448|3.552990|3.070098|3.189630|3.932627|5.135653|18.075378|4.618348|4.051493|3.115487|2.323124|1.962154|1.880461|0.052633|1.641045|1.635206|1.814018|3.571508|0.133425|0.116932|0.094733|0.079860|0.070949|0.079533|0.179775|0.190264|0.500000| |3.237185|3.097581|2.553045|2.364838|2.538637|3.088330|3.545512|6.371702|4.747009|24.164283|8.323824|8.779344|17.534278|8.844109|9.496598|0.215257|4.661008|5.727665|4.952472|6.794483|5.193754|3.952290|3.566626|3.894047|5.026112|6.315198|21.734444|5.725227|4.654740|3.719218|2.848437|2.264980|2.129010|0.060003|1.821315|1.784958|1.974775|3.987708|0.100000|0.094420|0.076959|0.064642|0.058073|0.064402|0.229235|0.178390|0.301829|0.500000| |3.958456|3.416430|2.740919|2.422206|2.493459|2.982714|3.642070|6.394693|4.164335|21.431010|6.335313|7.017043|8.814747|17.607214|12.455529|0.223781|7.385406|5.602931|3.659539|5.393976|3.561633|3.047276|2.769052|2.838407|3.222133|3.687322|16.904877|4.381831|3.675708|3.110497|2.470978|1.954564|1.892232|0.054670|1.642451|1.586863|1.744817|3.490792|0.120654|0.126160|0.093840|0.070918|0.059423|0.061981|0.175717|0.211089|0.173603|0.208173|0.500000| |6.049837|4.863713|3.609750|3.048272|3.093994|3.804666|5.095619|9.294330|5.184795|25.537793|6.945166|6.808179|8.852730|17.652863|12.353088|0.181560|7.011271|7.000611|3.752783|5.673703|3.365759|2.823450|2.499482|2.522340|2.874371|3.401414|14.998193|3.832157|3.356356|2.722349|2.096595|1.744064|1.701668|0.048586|1.498939|1.471700|1.620653|3.180065|0.198934|0.193577|0.131150|0.091708|0.072799|0.074349|0.146448|0.214620|0.216394|0.173709|0.300643|0.500000| |4.619946|3.519543|2.896347|2.442409|2.366475|2.679687|3.309822|5.050647|3.104376|17.629976|4.178684|3.699133|4.575070|7.006995|12.334536|0.181505|17.648075|7.035769|2.536852|4.008470|2.408367|2.121113|1.969266|2.027444|2.266236|2.506713|12.720987|3.328031|2.865654|2.334108|1.823782|1.518132|1.470142|0.042074|1.314416|1.279206|1.379459|2.687044|0.154775|0.137164|0.117827|0.079024|0.060891|0.058271|0.091798|0.109553|0.119528|0.113855|0.180554|0.210434|0.500000| |3.326396|2.757640|2.359419|2.063221|2.027753|2.269326|2.679200|4.080917|2.651424|15.430963|3.695901|3.235656|4.115400|5.593563|12.289405|0.223953|17.649951|7.158121|2.326496|3.672286|2.289806|2.026260|1.927082|2.033478|2.293037|2.465166|13.026211|3.489568|2.920940|2.370735|1.865240|1.536877|1.466037|0.041829|1.311419|1.270289|1.356114|2.649759|0.108535|0.095272|0.086479|0.064343|0.052231|0.050956|0.083664|0.090725|0.107712|0.112041|0.148478|0.143048|0.299082|0.500000| |3.460272|2.854590|2.396838|2.096588|2.082577|2.368320|2.824972|4.451314|2.889305|16.340068|4.122181|3.824843|4.694894|7.133943|12.292860|0.223939|17.654037|5.618833|2.559437|3.978169|2.530148|2.253877|2.131440|2.221730|2.475088|2.673161|14.044080|3.726343|3.102649|2.602549|2.082856|1.672397|1.607853|0.046400|1.423965|1.368604|1.472213|2.905811|0.108110|0.105608|0.088064|0.064614|0.052678|0.052216|0.100306|0.111412|0.113161|0.125543|0.228679|0.173821|0.299187|0.299343|0.500000| |3.784492|3.477898|2.883808|2.587114|2.658768|3.117111|3.679018|5.906105|3.917252|21.859015|5.468912|4.517759|6.956670|6.862644|12.258847|0.226325|5.622357|17.690284|3.314140|5.106230|3.159283|2.590760|2.383862|2.551745|3.080429|3.566288|15.526452|4.117867|3.517895|2.682044|2.023162|1.715525|1.623181|0.045371|1.440151|1.426472|1.545130|3.012382|0.130147|0.101198|0.091080|0.074454|0.063735|0.066327|0.108484|0.113202|0.236338|0.184070|0.141523|0.169749|0.142549|0.146624|0.126093|0.500000| |3.542321|3.075019|2.622551|2.313759|2.297797|2.591907|3.047279|4.625274|3.016126|17.603066|4.135447|3.447624|4.714632|5.556878|12.316217|0.221483|7.279957|17.651345|2.585000|4.085131|2.502732|2.145291|2.016572|2.149987|2.503791|2.761663|13.562179|3.629627|3.081728|2.391969|1.830818|1.548630|1.467725|0.041270|1.314527|1.292047|1.383897|2.686725|0.122353|0.094910|0.089629|0.070254|0.058111|0.057574|0.086152|0.091754|0.138865|0.127788|0.126711|0.143873|0.178766|0.224413|0.146893|0.300145|0.500000| |5.215650|4.303908|3.453730|2.924553|2.877296|3.331690|4.179071|6.381570|3.847908|21.620629|4.984913|4.120505|5.648658|7.016567|12.329447|0.181553|6.930741|17.656102|2.954975|4.668793|2.719895|2.298256|2.097228|2.178761|2.520673|2.892370|13.401163|3.495683|3.059712|2.379425|1.806811|1.544114|1.484726|0.041817|1.328175|1.313442|1.422844|2.753227|0.203602|0.134391|0.124182|0.090873|0.071455|0.069936|0.096868|0.112961|0.177563|0.134758|0.144533|0.213495|0.207339|0.171474|0.142097|0.299475|0.298906|0.500000| |2.165581|2.300220|2.057311|2.080885|2.373925|2.785686|2.730841|4.358919|3.920904|25.661375|6.822069|4.411081|3.420059|2.817898|3.235195|0.066825|2.082864|2.219329|7.162036|12.209912|8.919968|17.740752|8.923108|5.660841|4.946460|5.642275|27.673852|5.736361|6.402115|5.126490|3.405304|3.255794|3.441997|0.094484|2.819414|2.935235|3.750420|7.682682|0.059886|0.063505|0.053783|0.051568|0.052439|0.064674|0.142462|0.110018|0.089529|0.095248|0.078886|0.074540|0.056135|0.052857|0.058962|0.065973|0.055421|0.060157|0.500000| |1.775812|1.832738|1.660511|1.662073|1.839814|2.089749|2.087419|3.258694|2.740401|17.911070|4.560206|3.277159|2.824782|2.406349|2.898844|0.061687|1.893855|1.976551|4.123087|6.820504|5.634686|8.894776|17.743171|8.908730|5.628051|4.942256|46.656928|8.109470|10.418043|9.394221|5.248237|5.612201|5.877740|0.150832|4.187668|4.272672|5.755017|14.819896|0.049850|0.051775|0.044900|0.042502|0.042578|0.050219|0.107567|0.082133|0.073218|0.083476|0.068607|0.062096|0.050087|0.049012|0.054205|0.058559|0.050573|0.052445|0.214253|0.500000| |1.995739|2.011655|1.787870|1.749659|1.909000|2.196491|2.274624|3.642941|2.968310|18.201482|5.039269|3.858829|3.971991|3.158185|4.037953|0.091497|2.469820|2.797894|4.088198|6.143995|5.637976|4.948039|5.633939|8.931538|17.762610|8.895584|47.922167|13.713245|9.306423|6.236369|4.256179|3.490510|2.979081|0.079512|2.459635|2.433428|2.666675|5.572490|0.058702|0.056956|0.049970|0.045879|0.044461|0.051032|0.121962|0.089003|0.104274|0.135522|0.086105|0.076589|0.062658|0.065112|0.068880|0.087571|0.071848|0.070032|0.107480|0.124144|0.500000| |2.604601|2.685361|2.313871|2.258729|2.525259|3.050252|3.192041|5.429062|4.682570|26.481198|8.815046|6.257223|6.506164|4.321761|5.138505|0.111424|2.941230|3.655256|6.953352|9.214809|8.891003|5.634865|4.941860|5.665460|8.947888|17.727205|27.942436|6.989645|6.117232|4.369080|3.086038|2.629979|2.439122|0.066498|2.067181|2.084351|2.346714|4.735226|0.077417|0.073838|0.063188|0.057929|0.056031|0.066355|0.182076|0.128290|0.181582|0.217185|0.109682|0.104699|0.075930|0.075073|0.079557|0.120719|0.088277|0.092547|0.124059|0.107372|0.214862|0.500000| |1.515476|1.493688|1.356026|1.320846|1.404866|1.562786|1.622139|2.499705|1.950159|12.373160|3.094412|2.465152|2.383122|2.190136|2.823745|0.062682|1.912604|1.874226|2.418234|3.889619|2.950546|3.218969|4.015232|4.650836|3.925495|3.174465|44.546009|11.894975|8.174497|12.252271|17.573829|6.612805|4.868882|0.142324|3.738474|3.129470|3.163774|7.164608|0.043359|0.044240|0.039038|0.035588|0.034189|0.037792|0.078924|0.063593|0.060409|0.073902|0.064611|0.054912|0.049012|0.050903|0.056228|0.054196|0.049729|0.048329|0.079956|0.114467|0.109831|0.078383|0.500000| |1.562421|1.547687|1.403861|1.370986|1.464367|1.633326|1.689787|2.609144|2.050629|13.031489|3.267822|2.594717|2.402513|2.210604|2.770329|0.060377|1.885845|1.826938|2.581940|4.172863|3.142296|3.620808|4.546419|4.668697|3.744348|3.178341|38.450339|8.608656|7.443878|12.515739|17.622314|7.193124|6.454218|0.222736|4.459130|3.568339|3.777047|9.166925|0.044186|0.046025|0.040172|0.036731|0.035433|0.039433|0.084422|0.067940|0.060458|0.072690|0.065917|0.056066|0.048922|0.049488|0.055764|0.052516|0.047934|0.047750|0.092487|0.138611|0.097771|0.076856|0.299314|0.500000| |1.750192|1.725611|1.545071|1.499137|1.605985|1.816181|1.899690|2.994194|2.361169|14.585643|3.876701|3.167487|2.976904|2.670375|3.333423|0.074130|2.212940|2.168742|3.045098|4.743959|3.885426|4.288306|5.478329|6.409166|5.224976|4.168333|49.245882|12.094993|8.249301|12.365250|17.622415|5.606728|4.676021|0.139972|3.441421|3.018191|3.278136|7.681595|0.050073|0.051555|0.044552|0.040228|0.038448|0.042923|0.106388|0.080391|0.073505|0.093534|0.079774|0.065970|0.056497|0.057777|0.065451|0.062997|0.056479|0.055780|0.102710|0.147885|0.136875|0.098871|0.300720|0.302752|0.500000| |1.339544|1.343435|1.238110|1.224532|1.310350|1.439802|1.462354|2.211276|1.747019|11.503455|2.720565|2.068461|1.957694|1.789209|2.294398|0.049784|1.560711|1.564222|2.190060|3.662205|2.623054|3.001496|3.809502|4.031396|3.229507|2.693798|40.548648|8.590203|9.458345|12.443542|7.384444|17.532876|8.856971|0.212625|6.811846|4.977835|4.482625|10.148750|0.037933|0.038819|0.034700|0.032476|0.031936|0.035727|0.064713|0.053819|0.050950|0.058915|0.051793|0.046006|0.040795|0.041614|0.045198|0.045398|0.041510|0.041036|0.077445|0.120084|0.087400|0.066211|0.204250|0.199386|0.145720|0.500000| |1.367353|1.388203|1.282390|1.279479|1.382192|1.520504|1.525979|2.304992|1.849511|12.349968|2.892035|2.140407|2.013239|1.801625|2.298865|0.049663|1.542814|1.589390|2.393802|4.054642|2.913692|3.404898|4.497401|4.748193|3.635335|2.982698|50.900241|9.207523|15.035764|12.458942|5.692332|17.687384|8.896162|0.174269|6.966847|6.332332|5.726227|12.721062|0.038724|0.039376|0.035294|0.033457|0.033351|0.037923|0.066633|0.054975|0.053092|0.060480|0.051362|0.046498|0.040503|0.041074|0.044165|0.046666|0.041974|0.041801|0.087027|0.145720|0.096739|0.072224|0.145411|0.143945|0.127186|0.302296|0.500000| |1.237792|1.256738|1.173497|1.174098|1.259511|1.366434|1.365770|2.027391|1.607297|10.918562|2.440529|1.805737|1.657314|1.533159|1.935665|0.040976|1.334549|1.330547|1.978852|3.439573|2.250201|2.654633|3.106332|2.868900|2.375912|2.156201|22.889383|4.831713|5.846167|5.636844|3.676639|5.592468|8.800144|0.226015|17.565224|8.813483|6.823625|11.730586|0.034455|0.035947|0.032269|0.030804|0.030836|0.034707|0.055439|0.048234|0.043582|0.048083|0.044287|0.040451|0.035604|0.035349|0.038544|0.038282|0.035143|0.035645|0.074216|0.103573|0.061870|0.053490|0.093384|0.114914|0.087549|0.148912|0.140378|0.500000| |1.205960|1.221239|1.139638|1.138414|1.219345|1.323043|1.325323|1.970135|1.559040|10.553347|2.374395|1.761719|1.647042|1.517422|1.939172|0.041387|1.331594|1.338910|1.922227|3.317059|2.215115|2.562529|3.074186|2.997011|2.479109|2.187703|25.942441|5.497047|6.863661|6.384893|3.977166|7.276287|8.670052|0.189728|17.576750|8.665506|5.730290|10.406389|0.033820|0.034841|0.031440|0.029948|0.029906|0.033571|0.054004|0.046545|0.043465|0.048374|0.043619|0.039759|0.035306|0.035507|0.038334|0.038702|0.035550|0.035622|0.069446|0.099961|0.065938|0.054462|0.105505|0.117587|0.091461|0.211665|0.195435|0.302377|0.500000| |1.192003|1.225890|1.154252|1.168467|1.262510|1.360339|1.338548|1.967691|1.575501|10.973225|2.369376|1.704967|1.569410|1.435308|1.817354|0.038292|1.243566|1.270698|1.954695|3.483296|2.198863|2.584875|2.974092|2.732263|2.289446|2.098102|21.443167|4.466495|5.981906|4.704982|2.902720|4.437070|5.690803|0.129167|8.677481|17.592388|8.722334|10.354856|0.033170|0.034288|0.031088|0.030217|0.030809|0.035158|0.051540|0.045205|0.041978|0.045308|0.040796|0.038123|0.033345|0.033031|0.035479|0.036854|0.033559|0.034182|0.072894|0.098025|0.059596|0.052291|0.074576|0.084136|0.072003|0.111168|0.131129|0.218444|0.194095|0.500000| |1.245192|1.279468|1.198456|1.210772|1.311797|1.422867|1.403610|2.079751|1.673527|11.560815|2.549061|1.835020|1.703625|1.538994|1.956203|0.041536|1.325599|1.370206|2.122998|3.743824|2.455105|2.889448|3.481685|3.304833|2.699147|2.394414|27.672229|5.539726|8.335767|5.943721|3.397785|5.988236|6.734554|0.137133|8.782344|17.564211|8.836425|12.114283|0.034899|0.035720|0.032340|0.031297|0.031808|0.036437|0.055816|0.047936|0.045607|0.049815|0.043565|0.040521|0.035314|0.035279|0.037721|0.040046|0.036190|0.036590|0.078764|0.115100|0.070637|0.059118|0.087381|0.094376|0.082850|0.140946|0.204553|0.173947|0.216888|0.301682|0.500000| |1.371243|1.418736|1.326100|1.344187|1.466664|1.598442|1.568791|2.328794|1.892068|13.139821|2.883492|2.057209|1.833120|1.659645|2.055555|0.043057|1.397607|1.424926|2.431015|4.356049|2.751067|3.431937|3.915958|3.278749|2.670498|2.502612|23.547487|4.749360|6.221373|5.266288|3.257314|4.509964|6.524034|0.158132|6.752063|8.784782|17.534926|16.527408|0.037911|0.039755|0.035494|0.034452|0.035189|0.040777|0.063022|0.054665|0.048641|0.052451|0.047382|0.044178|0.037598|0.036685|0.039999|0.041343|0.037191|0.038492|0.101416|0.138594|0.066893|0.060999|0.079232|0.096617|0.083180|0.105820|0.122722|0.186766|0.136763|0.218753|0.174227|0.500000| 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