Version2.1 2021-01-19T05:39:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H](C2)C(=O)Nc3c(c4c(s3)C[NH+](CC4)C)C(=O)N C14023343 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H](C2)C(=O)Nc3c(c4c(s3)C[NH+](CC4)C)C(=O)N C01[X(C22H29N4O4S2)] 177 C1 546 C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C C[NH+]1CCc2c(C1)sc(NC(=O)[C@@H]3CCCN(C3)[S](=O)(=O)c4ccc(C)cc4)c2C(N)=O InChIKey=OEHATYPNYNLTDY-OAHLLOKOSA-O InChI=1S/C22H28N4O4S2/c1-14-5-7-16(8-6-14)32(29,30)26-10-3-4-15(12-26)21(28)24-22-19(20(23)27)17-9-11-25(2)13-18(17)31-22/h5-8,15H,3-4,9-13H2,1-2H3,(H2,23,27)(H,24,28)/p+1/t15-/m1/s1 InChI=1/C22H28N4O4S2/c1-14-5-7-16(8-6-14)32(29,30)26-10-3-4-15(12-26)21(28)24-22-19(20(23)27)17-9-11-25(2)13-18(17)31-22/h5-8,15H,3-4,9-13H2,1-2H3,(H2,23,27)(H,24,28)/p+1/t15-/m1/s1/fC22H29N4O4S2/h24-25H,23H2/q+1 Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H](C2)C(=O)Nc3c(c4c(s3)C[NH+](CC4)C)C(=O)N C01[X(C22H29N4O4S2)] 177 C01 546 C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C C[NH]1CC[C]2=C(C1)S[C]([C]2C(=O)N)NC(=O)[C@@H]1CCCN(C1)[S@@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)N2CCC[C@H](C2)C(=O)N[C]3SC4=C(CC[NH](C)C4)[C]3C(N)=O InChIKey=IYNQMJPNBFHPLR-OAHLLOKOSA-N InChI=1S/C22H29N4O4S2/c1-14-5-7-16(8-6-14)32(29,30)26-10-3-4-15(12-26)21(28)24-22-19(20(23)27)17-9-11-25(2)13-18(17)31-22/h5-8,15,25H,3-4,9-13H2,1-2H3,(H2,23,27)(H,24,28)/t15-/m1/s1 InChI=1/C22H29N4O4S2/c1-14-5-7-16(8-6-14)32(29,30)26-10-3-4-15(12-26)21(28)24-22-19(20(23)27)17-9-11-25(2)13-18(17)31-22/h5-8,15,25H,3-4,9-13H2,1-2H3,(H2,23,27)(H,24,28)/t15-/m1/s1/f/h24H,23H2 3641.3959865567 -2162.0215071 1-A 24672.9809 126 420 546 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26482 -92.09699 -20.64950 -20.63730 -20.61173 -20.60959 -15.85836 -15.72132 -15.68377 -15.66701 -11.46460 -11.46389 -11.45324 -11.44919 -11.44339 -11.44201 -11.38786 -11.38290 -11.37582 -11.35499 -11.35404 -11.33747 -11.33483 -11.32648 -11.31902 -11.31774 -11.31560 -11.30445 -11.30012 -11.30007 -11.29791 -11.28340 -9.23722 -9.10553 -6.92342 -6.92307 -6.92215 -6.78782 -6.78678 -6.78490 -1.53548 -1.51980 -1.50495 -1.50110 -1.40853 -1.38630 -1.33179 -1.31535 -1.30288 -1.23850 -1.21947 -1.19675 -1.17759 -1.13330 -1.13076 -1.12138 -1.11612 -1.09355 -1.06574 -1.03571 -1.02702 -0.99587 -0.98990 -0.95203 -0.93914 -0.91833 -0.90805 -0.90217 -0.89410 -0.87112 -0.84963 -0.84593 -0.84148 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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 5922.7489 40094.6292 43149.0732 0.99997 0.00211 -0.00708 -0.00209 0.99999 0.00298 0.00709 -0.00297 0.99997 1 0.01462 0.00216 0.00201 0.30471 0.04501 0.04183 17.90 22.98 27.87 43.79 52.28 57.16 78.89 97.23 113.81 119.65 145.69 158.01 166.32 208.62 222.08 243.42 263.02 266.85 318.32 326.09 342.47 357.59 367.08 380.58 415.27 445.67 462.61 480.21 488.37 503.79 515.97 544.44 554.36 591.28 601.07 614.86 624.02 656.73 692.22 694.33 703.22 737.25 754.10 765.12 800.70 823.76 869.09 879.98 921.00 931.36 950.72 980.05 1000.16 1030.69 1057.84 1064.59 1116.90 1127.50 1135.24 1171.20 1216.68 1241.82 1254.55 1267.97 1306.60 1314.84 1324.93 1341.61 1359.56 1375.25 1413.37 1459.89 1479.72 1497.59 1511.68 1532.46 1552.79 1569.77 1572.72 1574.11 1589.46 1604.95 1606.58 1637.96 1645.01 1661.60 1690.22 1714.19 1730.83 1736.67 1741.56 1752.60 1785.02 1800.64 1808.82 1824.51 1839.82 1858.99 1862.03 1883.94 1893.93 1895.61 1909.76 1922.04 1975.03 1980.68 1987.65 2039.38 2046.48 2065.62 2071.78 2099.12 2104.36 2123.81 2138.05 2185.97 2187.06 2195.30 2204.00 2206.44 2243.52 2244.74 2257.56 2264.79 2268.77 2278.25 2285.76 2314.69 2319.70 2337.61 2344.75 2346.20 2348.97 2353.93 2361.51 2364.87 2369.31 2378.24 2388.63 2401.28 2411.52 2485.63 2544.46 2583.77 2594.77 2598.76 2834.01 2866.35 4583.26 4621.12 4621.66 4624.40 4632.84 4635.34 4654.22 4675.67 4693.53 4697.17 4701.98 4714.26 4720.02 4743.02 4752.77 4760.26 4782.72 4801.43 4822.30 4837.42 4842.09 4845.17 4860.94 4896.02 4916.17 5305.82 5438.54 5513.89 5594.16 0.544627 0.573579 0.574523 0.480737 -2161.476880 -2161.447928 -2161.446984 -2161.540770 3.145598D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H](C2)C(=O)Nc3c(c4c(s3)C[NH+](CC4)C)C(=O)N C14023343 RHF 6-31G(d) (6D,10F) C1 477.163024 |X|Y|Z| 145.287217 51.109941 30.855868 61.191371 24 6 7 16 19 3 2 |36.858105| |12.620829|36.858105| |7.563376|13.630122|36.858105| |5.024606|7.890295|13.839735|36.858105| |4.444242|6.859655|7.975409|13.691101|36.858105| |5.007981|7.889827|6.871616|7.900509|13.783360|36.858105| |7.546334|13.741302|7.954464|6.872170|7.972018|13.726837|36.858105| |3.150316|4.198044|4.751088|6.974243|10.816394|6.996768|4.747775|388.023441| |2.869443|3.686079|3.823589|4.919133|7.338085|6.574772|4.447688|94.550951|73.516695| |2.867384|3.676498|4.325798|6.176493|7.277392|5.080216|3.889486|94.383072|13.689561|73.516695| |2.861644|3.662256|4.218287|5.847921|7.095745|5.153888|3.929005|81.416983|13.320519|13.727973|53.358707| |2.828816|3.547019|3.841565|4.829612|5.889387|4.995594|3.916190|50.919095|11.329355|8.885426|17.645487|36.858105| |2.571069|3.084347|3.383034|4.021366|4.336733|3.767133|3.224383|34.135218|7.553420|6.923445|10.635965|12.483092|36.858105| |2.187406|2.567110|2.840981|3.367985|3.551801|3.065024|2.650113|29.912106|6.684704|6.605712|8.987188|7.524070|12.448087|36.858105| |2.211306|2.624702|3.000676|3.695223|3.817998|3.132177|2.673632|34.337552|7.160067|8.189695|10.642806|6.532359|7.603208|12.454685|36.858105| |2.341308|2.779630|3.276323|4.048233|3.940145|3.161740|2.750411|33.159918|6.609538|8.165461|9.768144|5.797756|6.885352|8.850703|17.515999|0.500000| |2.372252|2.897216|3.305005|4.284303|4.762725|3.756278|3.040848|51.640584|10.195300|12.052926|17.752665|7.805359|6.567094|7.564390|12.395579|0.248127|36.858105| |1.895722|2.194575|2.471162|2.941679|3.012221|2.555754|2.227997|26.635403|5.871165|6.785015|6.881517|4.417590|4.923660|7.531305|12.548227|0.249154|7.656134|36.858105| |1.729009|1.974305|2.177768|2.531466|2.619486|2.292190|2.018764|22.653172|5.233894|5.645403|5.607865|3.887497|4.403973|6.739728|7.909417|0.168325|5.666737|15.967257|73.516695| |1.850185|2.131415|2.429529|2.889319|2.887585|2.428435|2.135506|25.308124|5.478626|6.941016|6.007932|3.662628|3.860134|5.062596|7.828928|0.203886|6.323454|13.794029|15.101749|53.358707| |1.644736|1.863106|2.093237|2.427058|2.424328|2.090903|1.865702|20.715335|4.646405|5.720568|4.611185|2.924421|3.050712|3.831052|5.069753|0.134196|4.470448|7.763991|12.088806|18.845460|36.858105| |1.581773|1.777686|1.999373|2.294122|2.263332|1.960633|1.766915|18.970150|4.258322|5.393524|4.015368|2.533858|2.586260|3.074080|3.917341|0.108343|3.686341|5.117232|8.129719|10.614706|13.942934|36.858105| |1.412412|1.566731|1.736214|1.954404|1.937201|1.713573|1.560718|15.927744|3.668381|4.426471|3.324026|2.167505|2.223303|2.613204|3.135675|0.085768|2.952095|3.994958|6.889675|7.094168|8.186297|13.184299|36.858105| |1.357391|1.502642|1.650340|1.850913|1.853337|1.654715|1.506512|15.250181|3.564716|4.127759|3.235942|2.159860|2.247077|2.692021|3.138619|0.083729|2.886459|4.130805|7.647885|6.800771|7.735955|8.225712|14.206921|36.858105| |1.467759|1.641223|1.806259|2.050838|2.073907|1.838700|1.655843|17.384384|4.051149|4.608119|3.851526|2.587524|2.751603|3.484068|4.112985|0.105226|3.582513|6.109927|12.395928|9.521143|10.959975|7.358654|7.387023|10.961587|388.023441| |1.227826|1.345992|1.462042|1.617887|1.624337|1.472343|1.351768|13.160491|3.126223|3.513271|2.756471|1.879262|1.954852|2.297924|2.570395|0.068599|2.388905|3.221381|6.124780|4.935187|4.843576|5.065631|7.551469|12.725830|47.965480|36.858105| |1.173462|1.280716|1.387946|1.527759|1.530382|1.392756|1.284223|12.315502|2.934399|3.322814|2.520448|1.708602|1.750188|2.008967|2.249643|0.060682|2.148804|2.714580|4.997724|4.201565|3.969940|4.508821|6.784703|7.813276|33.317910|12.698445|53.358707| |1.188101|1.300864|1.407305|1.555225|1.568338|1.427829|1.310566|12.736563|3.052850|3.455375|2.582665|1.741823|1.763278|2.018093|2.271815|0.060767|2.211403|2.733374|5.009086|4.238787|3.988629|4.559494|6.609856|7.196840|32.525184|9.361140|25.690106|0.500000| |1.201636|1.308869|1.428593|1.569055|1.552317|1.404636|1.301181|12.377093|2.909765|3.381154|2.518923|1.689338|1.729560|1.966432|2.231154|0.061458|2.130519|2.652573|4.727440|4.229485|3.980765|4.907507|7.631065|6.838073|29.997046|7.704658|17.202360|0.258549|36.858105| |1.319232|1.449100|1.597602|1.774479|1.749300|1.562673|1.437843|14.110578|3.272868|3.935689|2.865989|1.881246|1.910704|2.179532|2.551101|0.070719|2.458957|3.059582|5.274001|5.149673|5.049421|7.247590|12.633270|7.649963|33.620246|6.344711|10.385957|0.204192|12.509278|36.858105| |1.075854|1.165472|1.253275|1.366262|1.370003|1.259776|1.169416|10.892845|2.618994|2.905840|2.216953|1.524026|1.563236|1.772931|1.940306|0.052400|1.856665|2.285064|4.245634|3.422060|3.066432|3.340759|4.453744|5.041138|25.658406|7.687714|17.404072|0.259600|7.651895|4.983308|36.858105| |1.677811|1.889400|2.154076|2.479371|2.399235|2.053703|1.857411|19.867646|4.361937|5.888943|4.058860|2.496798|2.495141|2.846454|3.648954|0.105304|3.596327|4.292556|6.551377|8.473782|7.468794|12.781062|7.428853|5.129046|33.484794|3.756576|4.933840|0.102832|4.153093|6.121526|2.834277|36.858105| |1.592313|1.769380|2.009240|2.265684|2.166704|1.878248|1.724702|17.388433|3.852127|5.094723|3.489451|2.189720|2.195773|2.452930|3.022621|0.088276|2.967980|3.436022|5.414927|6.225803|5.340288|8.116690|6.510736|4.516054|27.714411|3.530228|4.861613|0.099628|4.369830|6.540928|2.835826|15.903604|73.516695| |1.882294|2.158516|2.499646|2.959926|2.861175|2.386067|2.124789|24.352024|5.174084|7.653586|4.879287|2.863005|2.779014|3.114253|4.150389|0.120999|4.358808|4.580797|6.649624|8.927205|6.394250|7.816567|5.098281|4.028691|29.031025|3.094378|4.033651|0.085295|3.235753|4.327757|2.407664|13.892184|15.060573|53.358707| |17.550895|8.869451|6.682655|4.597289|3.991016|4.320494|5.934595|20.854535|4.738076|4.915604|3.582701|2.542906|2.322862|2.022286|2.075460|0.061200|2.228953|1.804523|2.924040|2.429211|1.599526|1.554346|1.390790|1.328886|10.119656|1.203574|1.574944|0.032559|1.190442|1.308572|1.061487|1.663899|2.828607|2.540118|0.500000| |17.596509|8.839074|5.570036|4.170590|3.972061|4.742106|7.237616|20.747148|4.898408|4.668713|3.602411|2.673533|2.420678|2.061212|2.057156|0.059651|2.210557|1.776685|2.909459|2.346232|1.541905|1.480616|1.331322|1.286088|9.886222|1.169907|1.523033|0.031508|1.140465|1.245515|1.030110|1.558449|2.629721|2.364183|0.301691|0.500000| |17.556748|8.858204|6.800891|4.629175|3.984432|4.277458|5.836455|20.780227|4.692735|4.745649|3.767186|2.771868|2.598272|2.203855|2.206747|0.065524|2.313099|1.890409|3.070792|2.502766|1.633594|1.566819|1.401405|1.350151|10.401513|1.222525|1.585425|0.032625|1.194295|1.307395|1.069298|1.655671|2.800429|2.508267|0.302224|0.301523|0.500000| |7.031548|8.888875|17.711082|8.972329|5.664065|4.950810|5.652813|27.905687|5.698253|6.696990|4.976177|3.333798|3.079535|2.652175|2.816659|0.087004|3.001828|2.361490|3.704802|3.201589|2.043856|1.970287|1.715960|1.623826|12.530674|1.440848|1.866513|0.038455|1.421764|1.588741|1.239894|2.139687|3.591001|3.348020|0.188590|0.140789|0.195121|0.500000| |4.096397|5.621781|8.933049|17.745025|8.891199|5.633361|4.953814|47.263789|8.030174|11.987848|8.301487|4.677346|4.078258|3.563928|4.120271|0.131002|4.709855|3.265827|4.875697|4.471630|2.715557|2.574860|2.154284|2.017704|15.901096|1.742425|2.235316|0.046345|1.700123|1.944582|1.456766|2.832340|4.570937|4.702340|0.108096|0.095952|0.109044|0.215934|0.500000| |4.081233|5.622870|4.954451|5.634142|8.937017|17.756724|8.882169|47.504971|13.697312|8.458935|6.661602|4.953978|3.642514|3.000600|3.019877|0.082287|3.674173|2.498869|4.040654|3.201920|2.041589|1.907314|1.678861|1.632273|12.926409|1.459297|1.878827|0.039458|1.381421|1.530228|1.251767|1.975282|3.202905|3.101645|0.100052|0.112696|0.098833|0.107542|0.124093|0.500000| |6.982398|8.920870|5.647748|4.952169|5.669678|8.946240|17.724491|27.920714|6.954097|5.835524|4.539944|3.425451|2.875680|2.391779|2.376307|0.067139|2.670279|2.015908|3.293787|2.623608|1.704720|1.617847|1.444282|1.401009|10.905505|1.267455|1.642836|0.034225|1.218692|1.337183|1.105570|1.689353|2.803133|2.598609|0.153973|0.221708|0.150200|0.124109|0.107549|0.215098|0.500000| |3.269813|4.216477|4.418544|5.434786|6.942626|6.267860|4.820298|49.077451|11.169122|8.313712|12.428039|17.631014|8.863473|5.500887|4.911095|0.130350|5.667362|3.574409|5.685068|4.216457|2.544857|2.259694|1.955439|1.937198|16.118605|1.704869|2.131753|0.044296|1.556777|1.724953|1.407911|2.262115|3.585808|3.518940|0.079603|0.086157|0.088559|0.103026|0.135872|0.169282|0.115356|0.500000| |2.547275|3.121316|3.269190|3.974071|4.932176|4.490720|3.531176|45.074967|11.949466|8.098965|12.297277|17.526652|8.786700|6.708237|5.699719|0.133055|7.030670|4.215729|6.894342|4.717128|2.836429|2.452055|2.125708|2.141967|18.309178|1.878852|2.323648|0.048614|1.668273|1.845708|1.528100|2.380502|3.710325|3.673500|0.064149|0.068156|0.068749|0.079496|0.106335|0.132497|0.088705|0.302074|0.500000| |2.788693|3.347067|3.780848|4.447275|4.482421|3.813462|3.366700|32.493815|6.854504|6.787301|9.546019|8.905361|17.542864|8.827142|6.791384|0.201440|5.706037|4.512880|7.008055|5.070776|2.951128|2.544612|2.179943|2.176820|18.617426|1.892771|2.319534|0.047434|1.704992|1.888020|1.523230|2.501032|3.951865|3.797242|0.069636|0.071695|0.079702|0.097045|0.127330|0.098352|0.082164|0.218561|0.173648|0.500000| |2.455390|2.877264|3.045652|3.462910|3.752454|3.458192|3.039109|28.359795|6.675074|5.806156|7.686267|8.899964|17.560624|8.839474|5.525867|0.140280|4.926967|4.080552|6.894283|4.436498|2.682007|2.298784|2.020769|2.064321|17.817210|1.827861|2.230115|0.045771|1.609115|1.753743|1.479468|2.203670|3.493150|3.279815|0.061264|0.065273|0.069347|0.077419|0.095052|0.094839|0.077231|0.212301|0.215215|0.302691|0.500000| |2.057701|2.364253|2.611533|3.003741|3.066573|2.692125|2.397892|24.566671|5.528324|5.600425|6.731426|5.488938|8.806638|17.575700|8.819181|0.213678|5.500634|6.818526|11.693393|6.468840|3.726334|2.993626|2.587579|2.698093|24.927392|2.322159|2.736372|0.055437|1.970577|2.159507|1.783550|2.740427|4.255446|3.962946|0.053032|0.053869|0.058298|0.069120|0.088709|0.072687|0.060643|0.123505|0.137943|0.214833|0.210179|0.500000| |2.024512|2.357183|2.550759|2.989474|3.240913|2.878461|2.478341|27.956270|6.640169|6.163958|7.790478|6.723760|8.820314|17.562500|8.884182|0.174057|6.815483|6.995546|12.784113|6.381399|3.715994|2.970291|2.575544|2.704956|25.225637|2.335055|2.764963|0.057034|1.954625|2.146226|1.800027|2.697686|4.134979|3.969576|0.052152|0.053640|0.056216|0.065840|0.086246|0.080427|0.063082|0.138374|0.195104|0.173371|0.215534|0.303964|0.500000| |2.184384|2.630720|2.899831|3.627294|4.167372|3.487187|2.823115|45.020095|10.475431|10.241637|12.274142|7.062802|5.803951|6.854723|8.814057|0.174243|17.487586|7.000309|10.353179|7.635617|4.269877|3.506150|2.890101|2.887591|25.744856|2.418273|2.952737|0.062589|2.110033|2.407937|1.881579|3.316750|4.897305|5.293743|0.057067|0.057420|0.058874|0.073060|0.106364|0.098686|0.070352|0.143937|0.210830|0.132854|0.130413|0.139998|0.202284|0.500000| |2.337415|2.846230|3.302404|4.320935|4.645709|3.598516|2.942295|50.741374|9.588014|14.864064|12.555049|5.683135|4.912738|5.501125|8.765883|0.215119|17.696956|6.970617|9.041843|9.506822|4.922212|4.196089|3.236246|3.059387|26.173737|2.489180|3.087828|0.065281|2.279566|2.694745|1.936726|4.272423|6.096103|7.598790|0.061972|0.060095|0.062908|0.084262|0.137372|0.096565|0.071532|0.127809|0.144539|0.127681|0.108248|0.123093|0.139901|0.301704|0.500000| |1.985218|2.304999|2.681468|3.239395|3.164311|2.598947|2.283142|27.632146|5.742602|7.912845|6.458192|3.743620|3.854326|4.746850|7.520797|0.223954|6.577373|9.267355|10.861688|25.984294|9.439331|7.272495|4.753599|4.284671|37.563944|3.211545|3.867594|0.079771|2.945289|3.645624|2.336735|7.033850|8.984157|11.535656|0.053414|0.050896|0.054717|0.072459|0.105533|0.068890|0.056634|0.089181|0.095707|0.106631|0.089041|0.122260|0.117748|0.149972|0.222905|0.500000| |1.194094|1.302067|1.413483|1.553132|1.549407|1.408532|1.301758|12.387628|2.934381|3.280890|2.607788|1.794806|1.889772|2.213866|2.439319|0.065847|2.230473|3.014517|5.749487|4.535401|4.278463|4.392857|6.074313|8.797936|41.350853|17.585740|12.424455|0.182462|6.886312|5.399602|7.252479|3.389725|5.794769|3.831563|0.032505|0.031602|0.033173|0.038877|0.046428|0.038661|0.033951|0.045445|0.049589|0.051181|0.049361|0.063118|0.062060|0.062162|0.063948|0.082787|0.500000| |1.202027|1.318261|1.422425|1.573807|1.595437|1.455388|1.332847|12.986979|3.124522|3.431502|2.719772|1.873917|1.943978|2.289481|2.518277|0.066098|2.357498|3.147012|6.158212|4.640555|4.378169|4.324803|5.739468|8.842445|45.375674|17.604664|12.376596|0.228936|5.622375|4.879608|7.053030|3.294837|5.427474|3.849364|0.032644|0.031944|0.033193|0.038738|0.046726|0.040331|0.034838|0.047132|0.052621|0.051748|0.050858|0.064016|0.065741|0.067476|0.067420|0.083127|0.301628|0.500000| |1.187906|1.289144|1.408448|1.539390|1.513723|1.370735|1.275920|11.953013|2.798828|3.239190|2.454560|1.657650|1.717163|1.954494|2.199197|0.061105|2.063008|2.608163|4.668020|4.116415|3.816606|4.540501|6.625303|6.331298|29.256580|7.280072|12.448999|0.182404|17.617149|8.777214|6.896588|3.859581|7.284421|4.126874|0.032659|0.031290|0.032946|0.039109|0.046372|0.037327|0.033201|0.042510|0.045253|0.047290|0.044499|0.055073|0.053650|0.056349|0.060760|0.079618|0.214136|0.145831|0.500000| |1.147677|1.244367|1.352577|1.476781|1.460948|1.329548|1.236766|11.566573|2.733195|3.161698|2.323459|1.562192|1.588126|1.781360|2.004361|0.055330|1.939368|2.330122|4.135723|3.661363|3.311769|4.012922|5.555388|4.991852|24.400652|5.626765|12.342827|0.217645|17.632869|8.788878|7.341526|3.627902|6.964894|3.969681|0.031691|0.030312|0.031636|0.037441|0.044249|0.036359|0.032278|0.040271|0.042919|0.043558|0.041212|0.049421|0.049229|0.053448|0.057651|0.071926|0.144477|0.126695|0.300930|0.500000| |1.317233|1.449045|1.592611|1.771957|1.757650|1.573452|1.443807|14.262039|3.329857|4.019216|2.843413|1.855939|1.855457|2.094039|2.452350|0.067522|2.430827|2.889763|4.950642|4.819182|4.548027|6.367706|8.889263|6.069950|29.579468|5.245988|8.947489|0.202286|8.830957|17.532504|4.578816|5.914516|11.165026|5.968033|0.036393|0.034601|0.036068|0.043826|0.053741|0.042949|0.037343|0.047406|0.050842|0.050725|0.047313|0.056911|0.057595|0.066653|0.074752|0.096105|0.122017|0.121471|0.173422|0.219755|0.500000| |1.339724|1.466639|1.626017|1.797550|1.749845|1.558570|1.442970|13.925730|3.196669|3.903203|2.819667|1.844526|1.878373|2.120420|2.486067|0.070333|2.386058|2.916045|4.933772|4.928632|4.611426|6.607558|8.902070|5.847796|29.144711|4.936565|7.610573|0.146027|8.950324|17.641550|4.135023|6.448470|14.249926|6.034661|0.037051|0.035000|0.036969|0.045271|0.055056|0.042102|0.037197|0.047280|0.049787|0.052150|0.047795|0.058623|0.057251|0.063871|0.072919|0.100156|0.126529|0.109323|0.219475|0.205474|0.305698|0.500000| |1.058030|1.146744|1.227561|1.338546|1.351111|1.247740|1.156162|10.776169|2.612498|2.851922|2.197155|1.522000|1.560771|1.773901|1.921043|0.051365|1.841222|2.263779|4.273664|3.323812|2.941589|3.095732|3.971338|4.685289|25.386976|7.154201|12.308034|0.221661|5.577452|4.147773|17.644247|2.611968|4.554950|3.087583|0.028924|0.028223|0.029190|0.033608|0.039450|0.034595|0.030438|0.038997|0.042687|0.041969|0.041238|0.049522|0.050529|0.052364|0.052904|0.062482|0.183700|0.217300|0.142677|0.146738|0.108762|0.096679|0.500000| |1.045216|1.129463|1.212269|1.317569|1.320431|1.217488|1.132829|10.459004|2.520098|2.801759|2.104312|1.443216|1.468862|1.647760|1.804268|0.048912|1.748009|2.091760|3.837976|3.139168|2.765818|3.063154|3.968702|4.195775|22.111233|5.600652|12.320507|0.225321|6.996018|4.705565|17.649361|2.694164|4.874369|3.138137|0.028737|0.027821|0.028802|0.033345|0.038954|0.033613|0.029797|0.037226|0.040191|0.039846|0.038631|0.045808|0.046372|0.049156|0.050901|0.060405|0.145460|0.145203|0.167095|0.222037|0.126671|0.110874|0.299225|0.500000| |1.057449|1.141496|1.228364|1.333255|1.329636|1.223381|1.140757|10.482132|2.509829|2.784072|2.144532|1.481064|1.532152|1.735743|1.887665|0.051367|1.785010|2.213013|4.113342|3.297110|2.924076|3.157380|4.134094|4.670855|24.457180|6.925242|12.336791|0.181196|7.034939|4.577648|17.648374|2.700293|4.856373|3.119729|0.028978|0.028105|0.029297|0.033887|0.039517|0.033663|0.029964|0.038100|0.041061|0.041687|0.040377|0.048959|0.048679|0.049891|0.051470|0.062736|0.215717|0.169087|0.208016|0.184791|0.112448|0.110915|0.299088|0.299279|0.500000| |1.903148|2.204275|2.529440|3.041797|3.034633|2.524100|2.207391|27.132551|5.810758|8.719276|5.384158|3.098607|2.935824|3.311833|4.484119|0.124570|5.024520|4.969021|7.164665|9.487175|6.532026|7.188366|4.841007|4.000274|29.964228|3.081570|3.984232|0.085824|3.082667|4.022345|2.384104|9.334249|11.063347|25.961580|0.052128|0.049046|0.051402|0.067907|0.097210|0.067746|0.055106|0.076677|0.082296|0.080129|0.070394|0.083935|0.087606|0.127094|0.188675|0.237057|0.076727|0.080004|0.079311|0.077374|0.115838|0.109327|0.063274|0.063325|0.062367|0.500000| 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