Version2.1 2021-01-14T13:12:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1ccnc1SCC[NH2+]C2CCN(CC2)c3cccc(c3)NS(=O)(=O)c4ccc(cc4)F C12246107 RHF 6-31G(d) (6D,7F) Cn1ccnc1SCC[NH2+]C2CCN(CC2)c3cccc(c3)NS(=O)(=O)c4ccc(cc4)F C01[X(C23H29F1N5O2S2)] 180 C1 561 Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)N1CCC(CC1)[NH2+]CCSc1nccn1C Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)N1CCC(CC1)[NH2+]CCSc1nccn1C Cn1ccnc1SCC[NH2+]C2CCN(CC2)c3cccc(N[S](=O)(=O)c4ccc(F)cc4)c3 InChIKey=SMDFGHWRDRGVTR-UHFFFAOYSA-O InChI=1S/C23H28FN5O2S2/c1-28-15-11-26-23(28)32-16-12-25-19-9-13-29(14-10-19)21-4-2-3-20(17-21)27-33(30,31)22-7-5-18(24)6-8-22/h2-8,11,15,17,19,25,27H,9-10,12-14,16H2,1H3/p+1 InChI=1/C23H28FN5O2S2/c1-28-15-11-26-23(28)32-16-12-25-19-9-13-29(14-10-19)21-4-2-3-20(17-21)27-33(30,31)22-7-5-18(24)6-8-22/h2-8,11,15,17,19,25,27H,9-10,12-14,16H2,1H3/p+1/fC23H29FN5O2S2/h25H/q+1 Cn1ccnc1SCC[NH2+]C2CCN(CC2)c3cccc(c3)NS(=O)(=O)c4ccc(cc4)F C01[X(C23H29F1N5O2S2)] 180 C01 561 Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)N1CCC(CC1)[NH2+]CCSc1nccn1C F[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N[C]1[CH][CH][CH][C]([CH]1)[N@@]1CC[C@H](CC1)[NH2]CCS[C]1[N][CH]=C[N]1C CN1C=C[N][C]1SCC[NH2]C2CCN(CC2)[C]3[CH][CH][CH][C]([CH]3)N[S](=O)(=O)[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=SGIPKJCUFLWFSS-UHFFFAOYSA-N InChI=1S/C23H29FN5O2S2/c1-28-15-11-26-23(28)32-16-12-25-19-9-13-29(14-10-19)21-4-2-3-20(17-21)27-33(30,31)22-7-5-18(24)6-8-22/h2-8,11,15,17,19,27H,9-10,12-14,16,25H2,1H3 InChI=1/C23H29FN5O2S2/c1-28-15-11-26-23(28)32-16-12-25-19-9-13-29(14-10-19)21-4-2-3-20(17-21)27-33(30,31)22-7-5-18(24)6-8-22/h2-8,11,15,17,19,27H,9-10,12-14,16,25H2,1H3 3492.1469331216 -2203.9814424 1-A 36950.9973 129 432 561 |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| 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1401.6765 1406.0389 1414.8122 1427.7666 1435.5631 1439.1630 1446.1960 1464.5420 1474.4973 1476.0068 1488.6014 1495.6918 1511.9293 1519.8879 1532.2935 1545.2695 1549.6982 1561.6062 1563.1299 1564.7125 1581.0800 1597.2424 1606.3539 1622.4626 1625.7515 1634.2596 1639.2542 1643.6716 1650.3989 1653.1126 1656.4248 1662.6652 1669.1936 1672.1104 1682.8704 1717.7988 1786.2904 1787.9756 1804.5713 1809.2444 1822.7881 3143.2303 3148.8689 3206.4610 3215.0889 3235.2562 3248.7857 3261.2880 3265.9120 3279.2522 3290.4071 3300.7618 3302.9172 3304.0209 3315.7031 3343.0431 3359.3945 3366.3269 3377.9297 3389.4168 3402.1521 3404.1892 3416.6774 3422.4910 3432.5555 3455.1714 3479.5934 3658.5200 3721.7722 3828.8388 8.5090 4.7092 5.8995 5.3137 4.5974 3.4175 2.8206 3.4226 1.6426 3.7808 2.1690 6.4417 3.9105 5.3661 5.9931 3.5286 4.3631 8.0818 4.2150 3.6407 4.5876 4.3386 1.9913 5.4837 3.8116 4.4648 7.3221 6.1245 5.4089 4.0426 3.5638 3.9122 9.5307 3.1020 3.4990 3.0182 2.5279 3.8083 3.4501 3.0594 1.6061 3.4407 3.5053 7.8417 4.8051 3.7417 6.1835 5.3194 5.0767 3.5070 7.1454 3.7666 6.9905 6.6318 5.0911 6.1374 2.3088 3.6628 3.6739 1.2467 1.3053 2.0541 3.4854 2.2561 1.5752 2.9275 2.5232 1.2379 1.7594 1.5913 3.5354 1.3612 1.7552 6.5924 2.4577 2.1458 1.5376 2.5826 2.5642 1.3274 5.9673 1.7042 2.3221 1.4956 2.3891 1.3523 2.1301 2.2180 1.6768 2.3091 1.6858 3.7901 1.8173 1.3266 1.7629 3.1825 1.7195 2.8028 1.2908 2.3530 4.7086 1.3711 1.2810 1.5204 4.1194 1.5825 1.7232 1.8160 2.0028 3.7197 1.4899 1.3603 1.2501 2.3001 1.1885 1.3268 1.5595 1.3617 1.4702 3.6060 1.3019 4.2235 1.2983 1.3012 1.3036 2.1467 1.4372 2.2880 3.0715 1.9067 1.3878 1.3612 1.4885 1.1093 1.1063 1.0401 2.1406 1.1468 1.0905 1.0876 1.0932 1.1301 2.2362 3.2239 2.5428 4.5207 6.8766 5.3958 5.4976 5.6582 1.0749 1.0746 1.0737 1.0605 1.0643 1.0345 1.1038 1.0589 1.0975 1.0887 1.0691 1.0912 1.0927 1.1081 1.1104 1.1041 1.1103 1.0899 1.0930 1.0952 1.0911 1.0921 1.0965 1.0958 1.0952 1.0921 1.1088 1.0557 1.0955 1.0772 0.0002 0.0002 0.0003 0.0012 0.0016 0.0015 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 7999.7454 63274.8249 67575.1476 1.00000 -0.00170 -0.00149 0.00173 0.99979 0.02020 0.00146 -0.02020 0.99979 1 0.01083 0.00137 0.00128 0.22560 0.02852 0.02671 9.58 11.03 13.30 28.75 34.77 39.16 52.99 61.94 66.88 86.77 113.74 120.16 132.07 162.42 172.39 197.49 226.06 266.78 269.79 292.60 294.88 337.18 356.09 378.55 382.85 414.31 431.90 454.23 467.33 482.75 522.95 552.66 592.00 612.82 618.13 666.25 692.35 700.26 705.85 724.83 728.87 737.54 762.81 793.81 804.24 836.04 870.01 903.19 952.02 980.51 994.13 1015.32 1051.62 1073.80 1078.16 1104.29 1127.54 1136.32 1174.47 1195.14 1227.17 1231.64 1266.05 1284.00 1297.49 1307.87 1321.53 1346.12 1359.68 1372.80 1419.73 1427.65 1442.61 1452.49 1469.26 1488.34 1509.59 1534.36 1537.53 1569.90 1572.23 1581.52 1599.50 1601.18 1615.13 1622.18 1629.12 1635.18 1642.27 1650.36 1714.35 1726.72 1728.74 1738.07 1746.59 1753.02 1782.03 1799.99 1808.79 1823.38 1825.90 1843.85 1846.51 1852.67 1871.42 1873.83 1911.28 1919.87 1998.73 2012.79 2016.70 2022.98 2035.60 2054.24 2065.46 2070.63 2080.75 2107.15 2121.47 2123.64 2141.77 2151.97 2175.33 2186.78 2204.63 2223.30 2229.67 2246.80 2249.00 2251.27 2274.82 2298.08 2311.18 2334.36 2339.09 2351.34 2358.52 2364.88 2374.56 2378.46 2383.23 2392.20 2401.60 2405.79 2421.28 2471.53 2570.07 2572.50 2596.38 2603.10 2622.59 4522.41 4530.52 4613.38 4625.80 4654.81 4674.28 4692.27 4698.92 4718.11 4734.16 4749.06 4752.16 4753.75 4770.56 4809.89 4833.42 4843.39 4860.09 4876.61 4894.94 4897.87 4915.84 4924.20 4938.68 4971.22 5006.36 5263.79 5354.80 5508.85 0.548863 0.578609 0.579553 0.478602 -2203.432579 -2203.402834 -2203.401890 -2203.502840 3.385880D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cn1ccnc1SCC[NH2+]C2CCN(CC2)c3cccc(c3)NS(=O)(=O)c4ccc(cc4)F C12246107 RHF 6-31G(d) (6D,10F) C1 490.174672 |X|Y|Z| 58.257574 34.368348 179.932060 71.155182 29 6 7 16 22 5 2 |36.858105| |13.127462|53.358707| |7.527102|18.818809|36.858105| |5.300939|11.896598|14.145301|36.858105| |5.288167|11.767913|8.545805|13.867621|53.358707| |7.586772|19.277413|8.797433|9.025211|20.114427|36.858105| |5.968351|9.491901|4.917233|4.962612|9.554673|10.772954|388.023441| |3.941527|6.491183|4.001458|4.548456|9.203535|7.098712|74.729865|36.858105| |3.222558|4.884563|3.067369|3.338045|5.976976|4.678283|49.809239|12.512699|36.858105| |2.631857|4.012358|2.654922|2.958322|5.100634|3.701327|33.232137|7.719281|12.677794|53.358707| |2.592728|4.013129|2.701334|3.063471|5.283590|3.710943|31.587612|7.361358|9.266981|25.668796|0.500000| |2.571067|3.962386|2.663195|3.007195|5.164088|3.648400|31.214498|7.140448|9.222540|25.666481|0.329655|0.500000| |2.244561|3.308230|2.206980|2.398652|3.940794|2.906590|25.579325|4.911976|7.390851|17.077253|0.255808|0.255108|36.858105| |1.965791|2.914459|1.997961|2.193645|3.516789|2.516594|20.766747|3.877559|4.930847|10.489191|0.207421|0.195827|12.475421|36.858105| |1.735651|2.523454|1.734418|1.871794|2.929781|2.124462|17.396726|3.029461|3.754549|6.766754|0.131757|0.129699|7.607504|12.452827|36.858105| |1.705171|2.455028|1.679331|1.795764|2.798779|2.052037|16.934055|2.877339|3.585963|6.127908|0.112237|0.122658|6.653181|7.823958|13.129920|53.358707| |1.856342|2.645099|1.778520|1.882157|2.960717|2.217542|18.946696|3.172467|4.163666|6.732473|0.116317|0.130460|7.622386|6.574102|7.896860|17.866918|36.858105| |2.156541|3.116689|2.069665|2.211133|3.573074|2.683809|23.728591|4.207540|6.053635|10.340017|0.157407|0.198136|12.484185|7.549232|6.548438|10.608024|12.440924|36.858105| |1.518191|2.165421|1.491571|1.582267|2.423824|1.779491|14.429222|2.366845|2.836483|4.575692|0.086386|0.092335|4.457571|5.095076|7.845217|18.050646|7.861372|5.090114|36.858105| |1.441111|2.036930|1.401464|1.474850|2.243684|1.658687|13.443699|2.156551|2.565862|4.001176|0.076852|0.078790|3.817786|4.194652|6.190420|10.481802|6.135796|4.172567|13.730446|36.858105| |1.308092|1.840220|1.273703|1.334531|2.007341|1.482592|11.849544|1.867589|2.167040|3.305773|0.064157|0.065875|2.993677|3.255438|4.366977|6.949747|4.356203|3.248411|7.945064|13.748224|36.858105| |1.249574|1.761403|1.226175|1.286566|1.925057|1.414735|11.184523|1.760535|2.012187|3.068542|0.059526|0.062382|2.703938|2.959559|3.796375|6.145707|3.814660|2.966134|6.844161|7.907711|13.768605|36.858105| |1.298675|1.842478|1.285231|1.356215|2.035554|1.487525|11.732261|1.869709|2.135129|3.307025|0.063676|0.068515|2.906260|3.233620|4.105196|7.001403|4.138913|3.247037|7.911610|6.861623|7.959935|13.714947|36.858105| |1.428662|2.040397|1.417237|1.504848|2.284252|1.666079|13.275979|2.160879|2.514606|4.007390|0.076113|0.083525|3.645953|4.158472|5.526057|10.717546|5.576257|4.173564|13.748121|7.945655|6.903290|7.923723|13.721414|36.858105| |1.227169|1.741422|1.222501|1.289474|1.920094|1.397712|10.883534|1.721223|1.927660|2.953017|0.057107|0.062048|2.503011|2.756432|3.285590|5.357183|3.326860|2.778882|5.153927|4.543885|5.155166|7.817209|13.446823|7.862998|53.358707| |1.125617|1.598903|1.131319|1.193930|1.762296|1.275847|9.798547|1.541489|1.696752|2.586055|0.050843|0.054250|2.144559|2.383892|2.776309|4.227016|2.652474|2.298760|3.826035|3.573634|4.110086|5.726336|7.008816|5.049124|15.707839|388.023441| |1.088724|1.544997|1.096756|1.155565|1.696625|1.227322|9.360885|1.462107|1.592306|2.401737|0.047132|0.050802|1.952970|2.134809|2.404469|3.656372|2.366197|2.105009|3.154006|2.916305|3.237370|4.201153|5.031729|4.034612|10.682687|94.977955|73.516695| |1.077660|1.523716|1.076701|1.131554|1.666523|1.211308|9.317368|1.454182|1.602565|2.421680|0.047843|0.050149|2.016407|2.225772|2.620527|3.914459|2.491755|2.140333|3.585041|3.598813|4.426897|6.240201|6.187530|4.381477|10.450243|95.024066|13.541804|73.516695| |1.147426|1.643874|1.169851|1.244755|1.838363|1.317795|10.042339|1.601703|1.751072|2.716166|0.054126|0.057232|2.238948|2.578852|2.984373|4.336373|2.628250|2.327147|3.773364|3.430328|3.708520|4.648097|5.658497|4.814559|9.438689|76.623699|13.071725|13.122628|36.858105| |1.154814|1.662891|1.190072|1.271951|1.873172|1.333486|10.067042|1.611552|1.740699|2.705213|0.054038|0.057801|2.183084|2.513930|2.795794|4.026498|2.472216|2.259399|3.313877|2.933814|3.037349|3.620969|4.436538|4.146167|7.340343|49.578892|11.541659|8.866135|13.715226|36.858105| |1.160736|1.681678|1.210767|1.301904|1.913307|1.350723|10.105748|1.628928|1.741672|2.726266|0.055207|0.058366|2.170405|2.541324|2.762465|3.819814|2.342152|2.188537|3.022974|2.688525|2.711334|3.075395|3.619127|3.577191|5.472770|33.692899|7.869387|6.841477|7.949236|13.784786|36.858105| |1.158703|1.679868|1.209305|1.301664|1.915039|1.350909|10.116306|1.635554|1.752717|2.758366|0.056519|0.058320|2.212154|2.638708|2.907312|3.872657|2.346498|2.181455|3.065920|2.788776|2.805405|3.097155|3.502643|3.482094|4.973618|30.118195|6.613728|6.624054|6.978142|8.023249|13.798584|36.858105| |1.149934|1.658410|1.186952|1.271323|1.875715|1.332939|10.075957|1.622509|1.759665|2.763404|0.056500|0.057596|2.263577|2.704664|3.106736|4.124633|2.468647|2.234781|3.396895|3.186020|3.288001|3.642915|3.984354|3.820564|5.451970|33.666873|6.823396|7.872454|7.951380|6.839967|7.866460|13.807404|36.858105| |1.144115|1.640306|1.167396|1.243349|1.837767|1.316290|10.036720|1.605172|1.758406|2.741002|0.055237|0.057046|2.277352|2.670732|3.152546|4.386536|2.621587|2.309929|3.824122|3.616070|3.922583|4.663641|5.164351|4.537163|7.290293|49.503010|8.832017|11.545405|13.722845|7.887201|6.837074|8.020985|13.776259|36.858105| |1.153377|1.679881|1.217037|1.315814|1.927830|1.350145|10.009283|1.621508|1.716241|2.699945|0.056082|0.057058|2.126724|2.541610|2.714324|3.512589|2.162064|2.054598|2.687420|2.467264|2.439631|2.608198|2.880426|2.934364|3.999716|23.273708|5.286291|5.292479|4.700518|5.325534|8.191710|14.401167|8.193611|5.324413|97.533100| |17.598221|12.377190|5.904188|4.564858|6.460264|6.665916|42.961633|3.927292|3.293632|3.622191|0.073179|0.070796|2.290622|1.994062|1.766492|2.348714|1.886435|2.181573|1.536238|1.468707|1.330503|1.262894|1.304912|1.434587|1.669413|7.996669|1.925383|1.922409|1.145440|1.147019|1.152124|1.155298|1.152364|1.147167|2.586090|0.500000| |17.598178|12.377027|5.904961|4.565090|6.459942|6.664897|42.947172|3.926712|3.292653|3.622268|0.071375|0.072763|2.283494|1.980705|1.756441|2.378396|1.921058|2.240412|1.555882|1.472670|1.336741|1.279456|1.332629|1.467207|1.715882|8.182686|1.983177|1.954597|1.166518|1.173801|1.174055|1.166712|1.158135|1.157847|2.600587|0.299262|0.500000| |17.654424|12.559772|7.267366|4.883924|6.098244|5.692049|31.872605|3.265306|2.733838|3.136568|0.063453|0.062946|1.996215|1.777150|1.584090|2.119542|1.680804|1.924662|1.399351|1.332625|1.218038|1.167725|1.211705|1.324437|1.566048|7.546488|1.830456|1.808745|1.081660|1.090341|1.097203|1.094745|1.084837|1.078157|2.457085|0.301289|0.301285|0.500000| |6.754857|12.111957|17.829681|8.617862|7.904030|5.984499|28.079168|3.274609|2.627333|3.146339|0.065208|0.064415|1.965517|1.796741|1.580850|2.090380|1.621110|1.859551|1.377415|1.300556|1.189836|1.148188|1.200084|1.314268|1.559852|7.575306|1.841253|1.806419|1.099264|1.118443|1.137385|1.135330|1.114299|1.096441|2.572882|0.148832|0.148861|0.213956|0.500000| |4.133045|8.034804|8.738480|17.818832|12.143727|6.094789|28.255434|3.909963|2.981779|3.741379|0.079951|0.078447|2.255871|2.109606|1.805707|2.348910|1.784798|2.074887|1.528733|1.423346|1.293294|1.252194|1.322434|1.463115|1.719283|8.368498|2.029019|1.980168|1.233768|1.266841|1.304152|1.304243|1.267153|1.232822|2.984034|0.101858|0.101864|0.110213|0.193779|0.500000| |3.743590|6.310161|4.063664|4.798663|9.768300|6.779609|56.682972|17.611679|8.801025|9.507097|0.218394|0.174237|4.599963|3.843309|2.980504|3.732950|2.936411|3.745861|2.273880|2.089255|1.814947|1.706991|1.803812|2.073553|2.260007|10.682839|2.525261|2.529313|1.575998|1.586250|1.618167|1.639339|1.625554|1.593004|3.691198|0.105288|0.099378|0.087832|0.092178|0.116614|0.500000| |3.742578|6.306540|4.060910|4.793960|9.753448|6.773232|56.675968|17.613044|8.803053|9.523498|0.181505|0.211535|4.548527|3.753885|2.935262|3.856707|3.073119|4.069847|2.339545|2.101609|1.831473|1.748764|1.879078|2.175661|2.378877|11.136659|2.659130|2.603864|1.632053|1.658942|1.680250|1.672380|1.642056|1.622063|3.733785|0.099368|0.105267|0.087805|0.092129|0.116507|0.302657|0.500000| |3.170030|4.663279|2.907617|3.091297|5.370438|4.312554|46.244933|8.786089|17.663549|12.370685|0.181192|0.222910|6.739676|4.502099|3.612080|4.972484|4.449700|6.736893|2.903402|2.607926|2.207576|2.060762|2.197178|2.591636|2.706381|12.305568|2.901562|2.895199|1.761891|1.750165|1.731791|1.725085|1.732485|1.750685|3.765500|0.088905|0.093025|0.074816|0.069995|0.076718|0.172583|0.210156|0.500000| |3.162482|4.654364|2.904298|3.089380|5.366421|4.303928|46.016433|8.767827|17.628918|12.409905|0.219386|0.180933|6.947179|4.678571|3.709127|4.725523|4.069258|5.520696|2.785313|2.588615|2.181671|1.995593|2.081752|2.427131|2.537403|11.712495|2.732174|2.796447|1.693934|1.667279|1.666095|1.691276|1.715677|1.716636|3.727304|0.092822|0.088623|0.074673|0.069920|0.076704|0.210302|0.172393|0.300770|0.500000| |2.258973|3.285790|2.173676|2.332459|3.809135|2.860376|25.591695|4.672285|7.035296|12.460455|0.219614|0.181431|17.588133|8.837625|6.753209|7.766827|6.751609|8.825876|4.119418|3.766911|2.958008|2.608598|2.718460|3.308867|3.170879|14.339111|3.253862|3.429344|2.089730|2.014912|2.001786|2.061199|2.135645|2.150901|4.474665|0.065118|0.063448|0.055729|0.053959|0.060587|0.124689|0.114251|0.172474|0.218046|0.500000| |1.963321|2.931179|2.025112|2.239120|3.581015|2.532167|20.505728|3.839093|4.651471|9.481233|0.221008|0.170328|8.806275|17.526211|8.835778|7.683104|4.920747|5.494448|4.180292|3.664908|2.939913|2.669037|2.853156|3.508182|3.362035|15.631083|3.508155|3.692399|2.409414|2.355831|2.427639|2.569567|2.631946|2.540099|5.699979|0.055611|0.054269|0.049432|0.050567|0.060164|0.110970|0.101479|0.112652|0.126693|0.215995|0.500000| |1.939071|2.900521|2.009669|2.228279|3.561305|2.506605|20.207239|3.805769|4.596284|9.699659|0.189386|0.213114|8.851747|17.534344|8.906658|9.635618|5.758813|6.783306|4.834879|3.823849|3.069183|2.898472|3.275870|4.260154|3.897134|17.620171|3.985442|4.024287|2.721676|2.718737|2.772373|2.831348|2.824461|2.767101|6.141028|0.053970|0.054433|0.048873|0.050190|0.060044|0.103825|0.107271|0.119352|0.115035|0.173756|0.300571|0.500000| |1.718366|2.477399|1.695290|1.814755|2.830351|2.072834|17.088490|2.910441|3.618664|6.187868|0.122972|0.113542|6.812297|8.836785|17.437515|12.203476|7.032414|5.718650|6.732023|6.393552|4.454531|3.669332|3.735157|4.687029|4.063976|18.251435|3.948257|4.430857|2.715208|2.509365|2.477273|2.638100|2.868838|2.917096|5.588933|0.049046|0.048131|0.043580|0.043040|0.048452|0.080307|0.076553|0.095778|0.103803|0.197606|0.216000|0.174105|0.500000| |1.611707|2.349088|1.634120|1.769167|2.735645|1.961892|15.673729|2.700642|3.199965|5.632257|0.113820|0.111725|5.543824|8.895585|17.626471|12.518082|5.708827|4.909657|7.383365|5.902745|4.421064|3.959282|4.337418|5.737264|4.747079|21.466079|4.568357|5.044039|3.389532|3.154473|3.168710|3.427438|3.714474|3.688777|7.160365|0.045399|0.045129|0.041168|0.041585|0.047883|0.074844|0.073703|0.085219|0.087244|0.139144|0.212706|0.218367|0.302365|0.500000| |1.841626|2.597855|1.738055|1.823957|2.858409|2.163009|18.631307|3.041920|4.000340|6.154682|0.109458|0.113997|6.815625|5.730657|7.035120|12.213542|17.434705|8.832831|6.752163|6.340199|4.447532|3.690112|3.765004|4.723430|4.110868|17.521040|3.893155|4.224547|2.426866|2.256814|2.147029|2.180118|2.323607|2.463713|4.550245|0.052554|0.052760|0.046325|0.044136|0.047881|0.079077|0.079833|0.116728|0.114607|0.197287|0.128611|0.132417|0.207852|0.143627|0.500000| |1.785913|2.523034|1.698373|1.783992|2.778721|2.091119|17.722942|2.878247|3.651734|5.597237|0.097519|0.112534|5.552585|4.925092|5.709613|12.519513|17.626878|8.900252|7.410330|5.825026|4.403641|3.996329|4.407654|5.836662|4.865234|19.652505|4.429825|4.580873|2.647738|2.487787|2.310360|2.273192|2.383500|2.579245|4.664948|0.050144|0.051772|0.045116|0.043241|0.047021|0.073296|0.078675|0.111998|0.097998|0.139095|0.108245|0.129173|0.143584|0.128094|0.302551|0.500000| |2.134074|3.113732|2.088189|2.249157|3.625939|2.683715|23.102929|4.140106|5.533642|9.589307|0.147725|0.216652|8.859196|6.779853|5.731068|9.583799|8.894286|17.528290|4.823077|3.801959|3.060096|2.902240|3.287019|4.271269|3.929628|16.896617|3.918416|3.854129|2.415727|2.389202|2.311650|2.264430|2.279210|2.353198|4.787225|0.059083|0.061882|0.053111|0.052096|0.058991|0.101302|0.117640|0.174583|0.131455|0.173685|0.138867|0.198998|0.132055|0.128595|0.173990|0.218364|0.500000| |2.319506|3.301664|2.152208|2.264975|3.672287|2.835994|26.113933|4.414296|6.593666|9.235666|0.141337|0.171939|8.779204|5.489459|4.914565|7.683741|8.869921|17.572235|4.190001|3.652118|2.939562|2.684215|2.876107|3.533411|3.406686|14.865943|3.442569|3.493782|2.084988|2.025230|1.956832|1.944980|1.991840|2.063767|4.140290|0.065483|0.067756|0.057014|0.053663|0.058277|0.105497|0.115883|0.229854|0.170730|0.215101|0.123028|0.138726|0.128633|0.108114|0.216938|0.213745|0.300688|0.500000| |1.489859|2.099530|1.437157|1.508374|2.302077|1.711573|14.003296|2.238867|2.695457|4.165053|0.080375|0.079964|4.046310|4.320822|6.341453|9.541290|6.223061|4.278140|8.883065|17.714186|8.925661|5.638772|4.945930|5.641606|4.922264|21.235078|4.455204|5.402060|2.919758|2.555763|2.397055|2.511976|2.841517|3.114864|5.122040|0.042470|0.042180|0.038169|0.037000|0.040275|0.060498|0.059707|0.075438|0.077192|0.116270|0.106912|0.104550|0.208318|0.158067|0.203005|0.154104|0.103623|0.105849|0.500000| |1.257312|1.759810|1.218097|1.270410|1.902282|1.409700|11.243204|1.750493|2.017581|3.028339|0.059222|0.059856|2.700510|2.886891|3.739756|5.633201|3.725649|2.878728|5.651348|8.928646|17.728434|8.954623|5.660991|4.968579|5.685267|25.409442|5.132424|7.141811|3.234106|2.678943|2.425488|2.533024|2.971269|3.475520|5.035225|0.035653|0.035624|0.032604|0.031710|0.034187|0.047455|0.047406|0.056881|0.057036|0.075710|0.074097|0.074926|0.110063|0.104496|0.109682|0.103849|0.074672|0.073990|0.215775|0.500000| |1.169609|1.643306|1.147606|1.200205|1.783774|1.311262|10.290557|1.602527|1.809275|2.723329|0.053139|0.055435|2.347655|2.541711|3.141021|4.901396|3.158956|2.549920|4.941991|5.630989|8.894306|17.779343|8.928979|5.647723|9.760959|43.030832|7.869055|13.613473|4.536789|3.490691|2.937209|2.946660|3.475886|4.517090|5.587777|0.032820|0.033250|0.030488|0.029975|0.032514|0.043263|0.044267|0.051439|0.049933|0.063349|0.064758|0.069477|0.085344|0.091145|0.085902|0.092149|0.069649|0.065210|0.124040|0.214999|0.500000| |1.468074|2.110243|1.470586|1.570270|2.387492|1.729848|13.703090|2.254182|2.601291|4.195960|0.079232|0.089922|3.724303|4.280637|5.261293|9.961188|5.313942|4.301408|8.958578|5.659001|4.968181|5.633097|8.884060|17.721402|9.787505|34.311861|7.269571|7.026659|4.824691|4.475309|3.869382|3.623011|3.772818|4.327204|6.882348|0.040694|0.041950|0.037787|0.037802|0.042518|0.059809|0.064004|0.074764|0.068389|0.090899|0.099019|0.129216|0.118841|0.152217|0.119740|0.155117|0.129806|0.099817|0.124245|0.107796|0.124053|0.500000| |1.257214|1.787338|1.255527|1.326032|1.975440|1.436018|11.163248|1.768278|1.973464|3.021522|0.058043|0.064302|2.531497|2.762103|3.198910|5.287900|3.339767|2.852217|4.798145|4.042810|4.301925|5.817809|9.212250|7.298238|25.957813|61.059509|13.713186|10.186433|6.083302|5.386787|4.016397|3.507531|3.653663|4.595473|6.434946|0.034756|0.035985|0.032730|0.032669|0.036093|0.047114|0.050296|0.056939|0.052482|0.064598|0.068195|0.081214|0.079490|0.093076|0.082460|0.101280|0.084290|0.071380|0.091691|0.098771|0.147651|0.215634|0.500000| |1.145700|1.647085|1.179259|1.257767|1.847847|1.317318|9.927049|1.579954|1.699871|2.617969|0.051937|0.056304|2.092862|2.362494|2.584722|3.794941|2.384291|2.198139|3.089200|2.722590|2.815150|3.368363|4.161659|3.890301|7.264861|47.369194|13.299304|8.190954|8.909858|17.751427|8.925085|5.681069|4.937986|5.629108|9.623027|0.031509|0.032455|0.030085|0.030831|0.034791|0.042947|0.045421|0.047838|0.045016|0.053497|0.061101|0.071308|0.064485|0.079034|0.060173|0.067688|0.065247|0.055170|0.066139|0.069238|0.091030|0.119455|0.159160|0.500000| |1.156894|1.681456|1.216965|1.312150|1.920271|1.348632|10.002148|1.611243|1.703245|2.655696|0.053912|0.057319|2.075618|2.407554|2.542085|3.502374|2.187539|2.086952|2.697563|2.395297|2.387342|2.664716|3.108906|3.135192|4.684216|27.749661|6.861401|5.731800|5.633968|8.862434|17.750129|8.951203|5.631090|4.936550|16.753110|0.031778|0.032487|0.030441|0.031792|0.036677|0.044499|0.046495|0.047018|0.045009|0.052997|0.064201|0.073721|0.063330|0.079710|0.055609|0.060006|0.061760|0.052115|0.060121|0.059826|0.070845|0.095733|0.098245|0.212802|0.500000| |1.138380|1.641360|1.175527|1.258736|1.855158|1.318102|9.952329|1.600516|1.733251|2.717062|0.056083|0.056062|2.224814|2.666419|3.063341|3.941103|2.377025|2.158928|3.203558|3.095571|3.177654|3.380593|3.535368|3.434088|4.661631|27.724330|5.716902|6.858291|5.635320|4.938012|5.630985|8.955126|17.749854|8.860940|16.758159|0.031792|0.031733|0.029850|0.030673|0.034868|0.044854|0.044703|0.047054|0.047305|0.059023|0.073529|0.075998|0.080318|0.102237|0.063097|0.063004|0.060377|0.053650|0.078455|0.081549|0.089861|0.092465|0.086718|0.107326|0.124498|0.500000| |1.127715|1.609311|1.141374|1.210401|1.789523|1.288806|9.878878|1.569920|1.729953|2.677156|0.053881|0.055112|2.246926|2.606850|3.141823|4.376037|2.637391|2.283323|3.933257|3.931326|4.495815|5.375512|5.408659|4.515071|7.182671|47.246647|8.153832|13.250607|8.914136|5.629571|4.937177|5.680893|8.921916|17.761715|9.622438|0.031524|0.031703|0.029513|0.029805|0.033232|0.043270|0.043743|0.047880|0.047326|0.059748|0.069010|0.073378|0.082817|0.100945|0.070070|0.072110|0.063625|0.057014|0.093668|0.112433|0.149075|0.113283|0.120450|0.124077|0.107313|0.212746|0.500000| 2201.630766 -12144.842732 4486.848737 -239.765452 -5696.128682 3492.147184 -2203.981497 2.001068 408AFFFFFFFFFFCA 44F9D090ED386B00 44798404DE9C9540 429530016D267FFD 3C2622D6F0000003 44CA88051AAA96BB