Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCOCC4)C1 C59331666 RHF 6-31G(d) (6D,7F) CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCOCC4)C1 C01[X(C25H29N5O4S2)] 189 C1 606 N#Cc1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)sc2c1CC[C@H](C2)C(C)(C)C N#Cc1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)sc2c1CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c2C#N InChIKey=QAJOZQPZRYSLBK-MRXNPFEDSA-N InChI=1S/C25H29N5O4S2/c1-25(2,3)16-5-6-17-18(14-26)23(36-21(17)13-16)28-24(35)27-22(31)15-4-7-19(20(12-15)30(32)33)29-8-10-34-11-9-29/h4,7,12,16H,5-6,8-11,13H2,1-3H3,(H2,27,28,31,35)/t16-/m1/s1 InChI=1/C25H29N5O4S2/c1-25(2,3)16-5-6-17-18(14-26)23(36-21(17)13-16)28-24(35)27-22(31)15-4-7-19(20(12-15)30(32)33)29-8-10-34-11-9-29/h4,7,12,16H,5-6,8-11,13H2,1-3H3,(H2,27,28,31,35)/t16-/m1/s1/f/h27-28H CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCOCC4)C1 C01[X(C25H29N5O4S2)] 189 C01 606 N#Cc1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)sc2c1CC[C@H](C2)C(C)(C)C N#C[C@H]1[C@H](NC(=S)NC(=O)c2ccc(c(c2)N(O)O)N2CCOCC2)SC2=C1CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCC2=C(C1)S[C@@H](NC(=S)NC(=O)c3ccc(N4CCOCC4)c(c3)N(O)O)[C@@H]2C#N InChIKey=MPZFVZBHCAIGHV-JTUHZDRVSA-N InChI=1S/C25H33N5O4S2/c1-25(2,3)16-5-6-17-18(14-26)23(36-21(17)13-16)28-24(35)27-22(31)15-4-7-19(20(12-15)30(32)33)29-8-10-34-11-9-29/h4,7,12,16,18,23,32-33H,5-6,8-11,13H2,1-3H3,(H2,27,28,31,35)/t16-,18-,23-/m1/s1 InChI=1/C25H33N5O4S2/c1-25(2,3)16-5-6-17-18(14-26)23(36-21(17)13-16)28-24(35)27-22(31)15-4-7-19(20(12-15)30(32)33)29-8-10-34-11-9-29/h4,7,12,16,18,23,32-33H,5-6,8-11,13H2,1-3H3,(H2,27,28,31,35)/t16-,18-,23-/m1/s1/f/h27-28H 3947.1188358709 -2330.1649923 1-A 40860.4795 139 467 606 |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| -91.99750 -91.90916 -20.61187 -20.61023 -20.57341 -20.56780 -15.86340 -15.66523 -15.64865 -15.59109 -15.58691 -11.41576 -11.39783 -11.35716 -11.32723 -11.31949 -11.29516 -11.29327 -11.29062 -11.28623 -11.28560 -11.28279 -11.27781 -11.27560 -11.27261 -11.27213 -11.26444 -11.26140 -11.24737 -11.24711 -11.24508 -11.24286 -11.23351 -11.21833 -11.21816 -11.21787 -9.00627 -8.92150 -6.68858 -6.68752 -6.68580 -6.60469 -6.60194 -6.60067 -1.64400 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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 6319.7170 69196.1388 72163.3545 1.00000 0.00161 0.00107 -0.00161 1.00000 0.00167 -0.00106 -0.00167 1.00000 1 0.01371 0.00125 0.00120 0.28557 0.02608 0.02501 13.63 17.21 22.83 46.17 61.57 66.76 75.73 79.35 88.53 93.06 114.61 131.92 140.54 170.94 176.83 208.35 228.69 242.92 265.98 266.57 285.73 300.91 312.99 338.83 359.13 381.89 383.04 402.77 407.68 415.40 458.36 472.92 482.94 497.75 521.87 537.83 544.99 565.21 601.54 606.51 635.22 646.43 676.11 686.13 718.48 730.51 737.42 751.22 762.02 768.72 777.08 795.40 832.85 836.96 880.00 884.40 896.15 901.48 959.28 965.58 987.36 1047.32 1068.75 1098.84 1105.96 1143.01 1172.56 1190.16 1221.22 1241.28 1279.04 1286.63 1290.47 1335.71 1357.14 1365.27 1381.02 1398.47 1432.74 1450.70 1460.44 1467.65 1477.42 1484.11 1509.86 1513.23 1527.41 1538.02 1568.25 1585.07 1601.05 1616.75 1634.31 1655.17 1667.34 1709.26 1727.36 1729.88 1747.98 1760.24 1795.89 1812.90 1827.76 1838.93 1847.91 1864.91 1894.09 1903.13 1905.22 1946.81 1947.04 1961.77 1974.75 1976.15 2005.33 2014.36 2028.75 2040.95 2050.33 2083.49 2094.62 2108.01 2115.87 2140.76 2145.22 2165.39 2192.57 2224.03 2232.57 2242.23 2244.40 2244.64 2247.36 2252.97 2284.08 2286.47 2333.08 2346.20 2346.71 2353.81 2355.36 2356.66 2359.87 2370.40 2376.11 2378.35 2384.22 2390.70 2393.32 2399.08 2402.15 2417.99 2457.16 2529.88 2568.28 2591.89 2604.92 2677.97 2911.38 3709.29 4539.34 4552.10 4567.74 4598.94 4602.07 4607.32 4608.25 4617.46 4621.37 4628.59 4630.99 4661.25 4683.86 4687.08 4693.92 4699.21 4701.75 4704.48 4712.74 4715.05 4731.90 4731.96 4741.28 4789.51 4860.31 4900.50 4938.04 5487.36 5544.38 0.563030 0.595474 0.596418 0.494393 -2329.601962 -2329.569519 -2329.568574 -2329.670599 3.421935D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCOCC4)C1 C59331666 RHF 6-31G(d) (6D,10F) C1 527.166098 |X|Y|Z| 192.566701 51.649350 33.329503 69.208318 25 6 7 8 16 20 3 1 1 |36.858105| |12.385919|36.858105| |7.618595|12.371320|36.858105| |7.619230|12.374649|7.680757|36.858105| |7.392845|12.205151|7.528656|7.493869|36.858105| |5.486501|8.916914|7.271733|6.826262|17.486157|0.500000| |6.244213|7.313767|6.058479|4.835648|12.364813|0.248093|36.858105| |4.192144|4.827974|4.323649|3.747084|7.484461|0.198285|12.432427|36.858105| |3.792579|4.322393|3.642872|3.657136|6.639560|0.176476|7.643604|12.661477|36.858105| |4.206230|4.866438|3.786775|4.328221|7.604630|0.190539|6.821058|7.638711|14.222137|36.858105| |3.186121|3.508657|2.868966|3.408319|4.593758|0.122691|4.211764|4.729874|7.400370|10.923602|388.023441| |2.743049|2.989532|2.584612|2.794238|3.894033|0.107218|3.971634|5.035678|8.121961|7.679946|78.406367|36.858105| |2.964885|3.264757|2.867665|2.911186|4.438531|0.122757|4.922710|7.259591|13.209655|8.272898|53.006087|13.985838|36.858105| |2.561318|2.775276|2.550757|2.467861|3.576341|0.100496|4.132225|6.053635|7.469676|5.192589|34.425362|7.815708|13.301836|36.858105| |2.276190|2.438550|2.297732|2.179922|3.025176|0.085440|3.497994|4.825204|5.262341|3.974083|26.882622|5.512349|7.413897|16.731374|53.358707| |2.291992|2.455167|2.178347|2.334250|3.034430|0.084293|3.107833|3.801880|5.206827|4.935257|48.471355|13.717370|7.925726|6.705070|7.340131|53.358707| |2.064989|2.195849|1.954246|2.142565|2.623524|0.072965|2.613956|3.039542|3.930242|3.978222|40.414068|7.612683|5.139202|4.559173|5.428079|19.092169|36.858105| |2.089324|2.216599|1.943405|2.228261|2.595050|0.071706|2.486401|2.758834|3.524507|3.867179|42.139684|5.874596|4.140825|3.511387|4.187193|9.721887|11.630834|388.023441| |1.816024|1.919834|1.744208|1.868559|2.251105|0.063009|2.275834|2.640751|3.233692|3.162076|28.838182|5.285634|4.148148|4.077812|5.218507|11.556274|13.749922|50.545074|53.358707| |1.633145|1.706643|1.558779|1.674504|1.956537|0.054474|1.971113|2.228612|2.643517|2.623306|23.269273|3.894458|3.214309|3.183026|4.180957|7.303246|7.634448|41.737362|18.581541|36.858105| |1.616140|1.671857|1.517113|1.650137|1.897290|0.052306|1.900267|2.109100|2.494479|2.527371|22.612751|3.583236|2.950861|2.852430|3.706122|6.347732|6.526635|42.657555|11.383320|16.084403|73.516695| |1.475033|1.543608|1.431528|1.512956|1.752443|0.049176|1.774541|2.003786|2.308086|2.254668|19.069082|3.168168|2.761957|2.839493|3.867077|5.593063|5.070358|29.329901|10.677124|12.714461|14.398465|36.858105| |1.448584|1.531625|1.434292|1.501421|1.741452|0.049471|1.761036|2.003200|2.284323|2.207114|18.287863|3.060444|2.730315|2.857988|3.950587|5.280617|4.526207|26.144762|8.912604|7.481605|9.465213|13.722707|36.858105| |1.320082|1.391878|1.316789|1.364687|1.564840|0.044523|1.586620|1.789147|1.994265|1.920621|15.476807|2.534147|2.330458|2.467100|3.470356|4.169951|3.411280|20.683946|6.070271|5.004002|7.157318|7.910559|13.774623|36.858105| |1.232734|1.287818|1.219223|1.262797|1.434496|0.040523|1.458405|1.626442|1.796799|1.738272|13.912223|2.238659|2.071123|2.184429|3.076665|3.623331|2.952943|18.423585|5.096325|4.413921|6.754803|6.757377|7.868741|13.692187|36.858105| |1.251705|1.297943|1.220081|1.272659|1.444372|0.040465|1.469719|1.631190|1.814216|1.767176|14.305954|2.290241|2.092802|2.184025|3.046873|3.741142|3.111736|19.566788|5.422007|5.093770|8.109826|7.972083|6.956175|8.036155|13.641625|36.858105| |1.358470|1.407582|1.310498|1.379845|1.577928|0.044016|1.603466|1.786439|2.021536|1.979733|16.407067|2.651225|2.364150|2.437771|3.352207|4.469573|3.874476|23.916655|7.130355|7.727365|12.023885|13.736618|7.972597|6.892936|7.824179|13.831764|36.858105| |1.164738|1.198570|1.129220|1.175713|1.321228|0.036838|1.346493|1.478310|1.626487|1.589839|12.719320|1.999370|1.846561|1.920242|2.679774|3.184989|2.603165|16.852026|4.307246|3.912385|6.706060|5.154515|4.538750|5.108926|7.660081|13.047265|7.907613|53.358707| |1.172979|1.199366|1.128122|1.171291|1.321170|0.036629|1.354791|1.485248|1.630543|1.589985|12.669265|1.994960|1.850255|1.929622|2.699199|3.168398|2.561078|16.508396|4.186942|3.766931|6.622664|4.646214|3.951272|4.192404|5.584091|8.424037|6.897660|21.729928|73.516695| |1.096135|1.128780|1.067132|1.112297|1.236466|0.034550|1.253908|1.367577|1.495756|1.468844|11.684180|1.810195|1.678919|1.735913|2.415374|2.837975|2.309670|15.288308|3.726178|3.296711|5.717921|4.174250|3.886248|4.500548|6.552763|8.356018|5.675185|21.770790|16.003612|73.516695| |1.137072|1.185831|1.131097|1.163081|1.310158|0.037054|1.333449|1.476955|1.607722|1.553281|12.213995|1.939688|1.825122|1.931232|2.737596|3.056320|2.431953|15.482886|4.008734|3.327513|5.296186|4.504993|5.116417|7.751551|13.506219|7.803185|5.124889|9.024290|8.826560|11.864484|53.358707| |1.078228|1.125690|1.075353|1.112198|1.235109|0.034997|1.246433|1.368020|1.485530|1.449155|11.392145|1.773254|1.664458|1.736161|2.434057|2.753098|2.203814|14.460857|3.537078|2.925396|4.778316|3.766807|4.215057|5.810030|7.852842|5.742879|4.183485|7.293000|7.249160|11.080123|17.702587|36.858105| |0.998955|1.039330|0.998101|1.025618|1.132852|0.032061|1.146304|1.250960|1.343622|1.308536|10.151959|1.569009|1.490231|1.558704|2.194622|2.397731|1.887903|12.474180|2.961866|2.401277|3.991260|2.948125|3.205618|4.101174|5.130569|4.228784|3.264379|5.930763|6.327162|9.237892|10.703871|12.543387|36.858105| |0.992269|1.034202|0.998439|1.016515|1.128038|0.032009|1.146544|1.255389|1.338675|1.293903|9.934030|1.545257|1.484204|1.568487|2.229107|2.348327|1.819869|11.894117|2.841857|2.248390|3.695864|2.730869|3.036104|3.887373|4.566141|3.679488|2.932951|4.986374|5.575308|7.188762|9.289895|7.918166|13.590720|73.516695| |1.034740|1.077333|1.039807|1.052397|1.180764|0.033461|1.209055|1.332846|1.420463|1.361697|10.429190|1.644665|1.587652|1.699024|2.440930|2.516094|1.933557|12.402638|3.053564|2.403975|3.903918|2.957550|3.302530|4.296413|5.127249|4.051185|3.186924|5.412361|6.161868|7.366014|10.737325|6.767392|8.183289|24.228288|36.858105| |1.125525|1.176563|1.130381|1.148134|1.300704|0.036923|1.331881|1.482056|1.596030|1.525509|11.804678|1.889446|1.809722|1.945874|2.800600|2.944270|2.280217|14.345486|3.702336|2.929281|4.622876|3.785120|4.452798|6.438223|7.826048|5.294856|4.013237|6.343410|6.977459|8.116138|17.777894|7.888921|6.760974|14.095045|12.523118|36.858105| |5.868261|7.326049|4.863041|6.448622|12.340171|0.249117|7.595154|6.292532|7.517037|12.646484|47.688438|4.812966|5.065306|3.767758|4.216805|4.875684|3.104613|22.534397|3.491090|2.210020|3.844705|1.933595|1.896536|1.679581|1.536846|1.560996|1.728309|1.935171|2.527635|2.356809|1.891339|1.309496|1.192254|2.095398|1.232300|1.365416|36.858105| |17.565118|8.704662|6.958707|5.501113|6.623577|0.139733|6.876758|4.454762|3.815358|3.997771|21.446327|2.700866|2.990145|2.637051|3.215156|3.086513|2.023208|14.295193|2.442175|1.612980|2.828855|1.462970|1.437068|1.313124|1.228571|1.247311|1.351018|1.582389|2.088130|1.941429|1.545138|1.072374|0.995786|1.763337|1.037963|1.127801|5.118216|0.500000| |17.552962|8.691892|5.493356|6.804538|6.728733|0.137875|5.705460|4.056723|3.899784|4.522813|24.800468|2.907490|3.072060|2.605461|3.125233|3.291805|2.189218|15.955981|2.593500|1.715940|3.042335|1.534780|1.494440|1.354842|1.267516|1.294909|1.413942|1.640797|2.162794|2.012929|1.584913|1.103536|1.019818|1.794011|1.052190|1.146573|6.452222|0.301612|0.500000| |17.543654|8.799122|6.940147|7.091607|5.422163|0.123580|4.677682|3.412311|3.129295|3.437055|19.542612|2.386840|2.541738|2.237447|2.746423|2.773935|1.863858|13.510093|2.253457|1.504132|2.654966|1.367231|1.344145|1.232264|1.155306|1.172320|1.266384|1.491477|1.960583|1.840633|1.457093|1.019401|0.947772|1.673249|0.978512|1.059556|4.556552|0.302697|0.302723|0.500000| |6.976164|8.778941|17.546641|7.081260|5.470745|0.145989|4.608015|3.487177|3.042182|3.190371|17.996868|2.277300|2.478403|2.230841|2.768301|2.660372|1.778615|12.690163|2.176143|1.443706|2.510724|1.331096|1.331644|1.228797|1.143430|1.145344|1.226135|1.449935|1.892517|1.795650|1.449542|1.016359|0.946570|1.682012|0.982532|1.063255|4.022191|0.173310|0.141371|0.209445|0.500000| |5.504218|8.732224|17.535276|6.966789|6.902579|0.220927|5.432153|4.247017|3.621161|3.729961|20.360126|2.601943|2.885741|2.578922|3.168396|2.993933|1.975553|13.938012|2.406182|1.574357|2.707568|1.452162|1.466657|1.347783|1.241594|1.235369|1.323562|1.550469|2.014427|1.916694|1.568811|1.097675|1.017703|1.812948|1.060595|1.154529|4.619849|0.140999|0.122247|0.141511|0.301922|0.500000| |6.884125|8.671969|17.575835|5.516287|6.753438|0.177098|6.660138|4.642647|3.676840|3.640199|19.529718|2.554997|2.899936|2.635175|3.259936|2.942412|1.921794|13.377956|2.351817|1.543236|2.662536|1.422714|1.426059|1.312626|1.217312|1.217679|1.305420|1.535991|2.009845|1.892521|1.539743|1.071391|0.996590|1.777549|1.045027|1.134946|4.412419|0.206710|0.140274|0.169794|0.303142|0.301563|0.500000| |6.998217|8.683483|5.524005|17.568081|6.614900|0.160089|4.458746|3.564058|3.660629|4.548672|26.385216|2.912620|2.950355|2.461836|2.942065|3.306480|2.251894|17.004146|2.644162|1.745608|3.083848|1.562302|1.537765|1.390815|1.289441|1.307076|1.425180|1.644405|2.142078|2.029971|1.610411|1.132095|1.041332|1.826976|1.062907|1.161223|7.012125|0.140727|0.204865|0.178920|0.144349|0.140367|0.122241|0.500000| |5.502655|8.720884|6.848451|17.528659|6.965974|0.207160|4.509546|3.713563|3.677656|4.329694|24.661518|2.854489|2.961094|2.510414|3.016972|3.250505|2.197188|16.257833|2.608973|1.709914|2.976234|1.549856|1.550282|1.408423|1.295685|1.298582|1.405530|1.625510|2.104939|2.011575|1.623784|1.143180|1.052022|1.855322|1.078574|1.179099|6.092511|0.122288|0.140001|0.142397|0.170048|0.204136|0.139575|0.301225|0.500000| |6.872978|8.785662|7.195741|17.550131|5.465103|0.142277|4.005085|3.171437|3.049665|3.481922|20.365206|2.411725|2.505319|2.176610|2.658930|2.805111|1.912178|14.147196|2.300148|1.530912|2.690208|1.393883|1.384061|1.267178|1.178530|1.187188|1.280364|1.500754|1.953644|1.861042|1.485334|1.047018|0.969815|1.709692|0.993421|1.078254|4.753971|0.141547|0.165071|0.210603|0.220666|0.177615|0.144593|0.303069|0.301958|0.500000| |6.724793|6.474855|5.136371|4.456409|8.813033|0.174605|17.536226|8.888239|6.743624|6.349854|29.419450|3.859286|4.641345|3.912635|4.544238|4.158487|2.586720|17.597995|3.062109|1.965191|3.402835|1.758638|1.724632|1.553128|1.438528|1.461723|1.600549|1.832644|2.422726|2.224752|1.788937|1.226869|1.129761|2.003301|1.189400|1.307600|7.057769|0.221174|0.183219|0.136266|0.116125|0.123263|0.155918|0.119775|0.110903|0.105021|0.500000| |5.988520|6.887623|6.903629|4.496874|8.742191|0.207443|17.592985|8.899365|5.577388|4.959926|24.292218|3.308846|4.036075|3.626199|4.358714|3.673317|2.306518|15.575926|2.791621|1.796420|3.075141|1.639873|1.637373|1.490917|1.375268|1.379846|1.492104|1.728556|2.271268|2.110020|1.724456|1.186512|1.097344|1.958853|1.161484|1.272413|5.501536|0.197078|0.140839|0.130518|0.142600|0.167646|0.246530|0.110769|0.116880|0.108415|0.303743|0.500000| |3.728335|4.008028|3.710838|3.171497|5.478075|0.142675|8.819180|17.541719|8.910558|5.808983|29.150471|4.627285|6.696964|6.439375|7.310236|4.994640|2.925602|18.502966|3.534345|2.205753|3.707542|1.996803|1.988787|1.785386|1.632699|1.641373|1.793478|2.032563|2.683977|2.447390|2.022638|1.367772|1.254994|2.245623|1.348929|1.497492|4.855034|0.114057|0.100988|0.086134|0.086012|0.099674|0.113905|0.084675|0.086167|0.076880|0.220101|0.209963|0.500000| |3.734803|4.490301|4.326407|3.590783|6.567210|0.202937|8.799335|17.510337|8.934362|6.126215|29.733771|4.531994|6.313538|5.747558|6.522150|4.844400|2.885144|18.553458|3.473123|2.154558|3.589323|1.966375|1.998139|1.796397|1.622549|1.609594|1.747766|1.979361|2.581893|2.400438|2.014436|1.373654|1.257451|2.254147|1.345015|1.495488|5.290156|0.108520|0.097858|0.087186|0.096496|0.124811|0.129110|0.092527|0.102530|0.085392|0.174182|0.219210|0.304035|0.500000| |2.174669|2.314152|2.089157|2.170840|2.838915|0.079014|2.999047|3.742197|4.861606|4.317289|37.335625|9.536004|7.599264|7.930141|9.191235|25.961262|9.482610|38.316300|11.207860|5.294538|7.905034|4.268612|4.082534|3.238935|2.805312|2.879935|3.416954|3.319657|4.339758|3.826655|3.215446|2.091772|1.824627|3.202098|1.954554|2.303160|3.221886|0.060573|0.063121|0.053872|0.052127|0.058572|0.058307|0.062021|0.061493|0.053691|0.081956|0.073479|0.104016|0.098279|0.500000| |1.789870|1.901401|1.746772|1.833734|2.238993|0.063187|2.293860|2.710139|3.269754|3.090468|26.833492|5.145322|4.286650|4.488456|5.953497|10.970356|9.356118|38.499340|26.026658|9.356213|10.932882|7.587498|7.303229|4.911421|3.959076|4.039612|5.067007|4.306754|5.446311|4.854330|4.234324|2.688484|2.251583|3.899210|2.390386|2.945158|2.499215|0.049443|0.051693|0.045293|0.044344|0.049386|0.048369|0.052408|0.052406|0.046121|0.062466|0.057822|0.074704|0.073693|0.255601|0.500000| |1.531403|1.636055|1.531604|1.605201|1.876893|0.053788|1.888421|2.169618|2.497707|2.406018|20.045263|3.406834|3.018965|3.149680|4.312484|5.928155|5.041657|28.347958|9.740009|6.836160|8.680407|8.879852|17.722980|8.985945|5.635190|4.996437|5.651393|4.918624|5.761171|5.690515|5.666590|3.602475|2.839569|4.881932|2.953386|3.856105|2.046637|0.042091|0.043773|0.039341|0.039314|0.043756|0.042200|0.045556|0.046354|0.040901|0.050905|0.048613|0.059289|0.060605|0.126167|0.235845|0.500000| |1.294755|1.372448|1.307672|1.346318|1.540469|0.044132|1.559922|1.760516|1.943631|1.863821|14.801960|2.413119|2.253457|2.399912|3.397493|3.884092|3.095425|18.964081|5.270300|4.080162|5.983462|5.646453|8.962620|17.754818|8.940343|5.687862|4.965385|5.626247|6.193460|6.813059|9.654111|5.724489|4.159257|7.352541|4.531730|6.905352|1.638268|0.035781|0.036716|0.033628|0.033903|0.037359|0.036220|0.037915|0.038763|0.034781|0.042143|0.040929|0.048689|0.049595|0.083736|0.120082|0.218259|0.500000| |1.358807|1.396970|1.294687|1.369842|1.559762|0.043183|1.585850|1.752720|1.984603|1.957925|16.283811|2.592507|2.302631|2.347836|3.202410|4.325166|3.758701|23.886766|6.592373|7.205278|13.270805|8.918529|5.661098|4.966875|5.604267|8.947526|17.773879|10.010069|13.172523|9.492628|5.674701|3.558305|2.908213|4.641988|2.810378|3.372915|1.717128|0.037541|0.039481|0.035216|0.033723|0.036137|0.035820|0.039480|0.038548|0.035352|0.044318|0.040921|0.048989|0.047227|0.090859|0.124870|0.124063|0.107810|0.500000| |1.091708|1.145929|1.096710|1.135345|1.258383|0.035834|1.264433|1.389413|1.509366|1.473780|11.581834|1.799322|1.688884|1.757437|2.457531|2.783867|2.227030|14.658783|3.553166|2.882085|4.657129|3.665265|4.301969|5.965056|6.803977|4.889565|3.833542|5.863210|6.089158|8.427588|12.266908|17.451013|8.872930|12.524380|5.867297|7.041502|1.332402|0.030098|0.030972|0.028674|0.028774|0.031217|0.030292|0.032046|0.032553|0.029673|0.034407|0.033448|0.038406|0.038955|0.058481|0.075369|0.105552|0.178886|0.090232|0.500000| |1.078340|1.123072|1.068295|1.113504|1.229950|0.034746|1.236529|1.351009|1.474138|1.448859|11.484657|1.771781|1.647990|1.701223|2.364298|2.755495|2.237592|14.911928|3.583971|3.041178|5.070527|3.894959|4.146953|5.349591|7.313614|6.166409|4.488272|8.217997|7.828284|13.721732|12.426995|17.656605|8.889433|10.169242|5.049679|5.697190|1.311698|0.029724|0.030760|0.028341|0.028084|0.030231|0.029497|0.031606|0.031747|0.029123|0.033911|0.032609|0.037439|0.037511|0.057624|0.074153|0.097489|0.137534|0.107677|0.300071|0.500000| |0.963092|1.002642|0.964117|0.993348|1.088324|0.030834|1.096316|1.190386|1.276207|1.248768|9.674786|1.480208|1.405448|1.459940|2.044529|2.243789|1.768112|11.843116|2.737071|2.206649|3.703357|2.648105|2.865312|3.540154|4.187671|3.579394|2.884635|5.007421|5.459860|7.813347|7.699013|8.855838|17.612015|16.904484|5.885400|5.041301|1.144412|0.026614|0.027294|0.025447|0.025458|0.027334|0.026686|0.028015|0.028335|0.026149|0.029987|0.029191|0.033064|0.033279|0.047074|0.057365|0.071924|0.100874|0.072472|0.216650|0.209868|0.500000| |0.982004|1.016954|0.975225|1.002012|1.106553|0.031190|1.122622|1.222097|1.311460|1.277860|9.909645|1.529341|1.452899|1.519236|2.139511|2.336094|1.838507|12.166972|2.879038|2.355257|3.965208|2.868906|3.012435|3.737469|4.824101|4.281728|3.277629|6.527225|7.023498|10.700468|9.589540|8.896768|17.528356|16.521221|7.281108|5.878510|1.165654|0.027229|0.027895|0.025893|0.025718|0.027534|0.027082|0.028303|0.028453|0.026343|0.030858|0.029850|0.034165|0.033979|0.049444|0.060436|0.073554|0.101428|0.082847|0.174025|0.217630|0.299981|0.500000| |1.019852|1.063045|1.031043|1.035935|1.163895|0.033051|1.195133|1.318502|1.394721|1.330686|10.094056|1.593325|1.553324|1.672764|2.418544|2.416320|1.833184|11.734837|2.863213|2.209613|3.584602|2.658910|2.984418|3.757129|4.182165|3.396430|2.793424|4.487052|5.281228|5.986591|7.714776|5.036750|5.880793|16.914398|17.606285|8.850843|1.206832|0.028473|0.028711|0.026807|0.027066|0.029252|0.028847|0.028962|0.029510|0.027197|0.032584|0.032020|0.037139|0.037115|0.052305|0.062677|0.076100|0.113094|0.069161|0.131459|0.110475|0.132245|0.147690|0.500000| |1.017854|1.054475|1.016141|1.028420|1.153581|0.032546|1.184607|1.302297|1.386648|1.330130|10.183917|1.603333|1.547870|1.655588|2.378686|2.451876|1.883818|12.105305|2.969326|2.360092|3.879263|2.881218|3.099532|3.895465|4.830247|4.097054|3.200135|5.839405|6.800596|7.983371|9.639981|5.901640|7.290004|16.537889|17.514923|8.877692|1.205208|0.028406|0.028802|0.026750|0.026702|0.028691|0.028405|0.028899|0.029173|0.026992|0.032516|0.031608|0.036745|0.036328|0.052975|0.064112|0.076284|0.108666|0.079897|0.134794|0.132559|0.147761|0.217836|0.300021|0.500000| |1.164023|1.214654|1.166642|1.178007|1.348399|0.038198|1.391632|1.558418|1.676340|1.588524|12.245453|1.987175|1.915897|2.089367|3.045177|3.113674|2.381549|14.699675|3.897736|3.049309|4.765679|3.930549|4.560794|6.262762|7.270851|5.305917|4.146710|6.294984|7.268191|7.574691|12.443899|5.688563|5.035638|10.165203|8.866874|17.578569|1.413425|0.032517|0.032937|0.030356|0.030409|0.033037|0.032656|0.033066|0.033528|0.030677|0.038010|0.036920|0.044032|0.043607|0.068707|0.087575|0.109545|0.177863|0.097070|0.143139|0.127420|0.110360|0.131786|0.210112|0.216570|0.500000| 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