Version2.1 2021-01-10T11:26:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C(=O)Nc1nccs1)Sc2nnc(n2CC=C)CCC(=O)Nc3ccccc3Cl C39760895 RHF 6-31G(d) (6D,7F) CC[C@@H](C(=O)Nc1nccs1)Sc2nnc(n2CC=C)CCC(=O)Nc3ccccc3Cl C01[X(C21H23Cl1N6O2S2)] 159 C1 538 C=CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1S[C@H](C(=O)Nc1nccs1)CC C=CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1S[C@H](C(=O)Nc1nccs1)CC CC[C@H](Sc1nnc(CCC(=O)Nc2ccccc2Cl)n1CC=C)C(=O)Nc3sccn3 InChIKey=GDUWYQOIONVGNG-INIZCTEOSA-N InChI=1S/C21H23ClN6O2S2/c1-3-12-28-17(9-10-18(29)24-15-8-6-5-7-14(15)22)26-27-21(28)32-16(4-2)19(30)25-20-23-11-13-31-20/h3,5-8,11,13,16H,1,4,9-10,12H2,2H3,(H,24,29)(H,23,25,30)/t16-/m0/s1 InChI=1/C21H23ClN6O2S2/c1-3-12-28-17(9-10-18(29)24-15-8-6-5-7-14(15)22)26-27-21(28)32-16(4-2)19(30)25-20-23-11-13-31-20/h3,5-8,11,13,16H,1,4,9-10,12H2,2H3,(H,24,29)(H,23,25,30)/t16-/m0/s1/f/h24-25H CC[C@@H](C(=O)Nc1nccs1)Sc2nnc(n2CC=C)CCC(=O)Nc3ccccc3Cl C01[X(C21H23Cl1N6O2S2)] 159 C01 538 C=CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1S[C@H](C(=O)Nc1nccs1)CC C=CCN1[C]([N][N][C]1CCC(=O)N[C]1[CH][CH][CH][CH][C]1Cl)S[C@H](C(=O)N[C]1SC=[CH][N]=1)CC CC[C@H](S[C]1[N][N][C](CCC(=O)N[C]2[CH][CH][CH][CH][C]2Cl)N1CC=C)C(=O)Nc3sccn3 InChIKey=GDUWYQOIONVGNG-INIZCTEOSA-N InChI=1S/C21H23ClN6O2S2/c1-3-12-28-17(9-10-18(29)24-15-8-6-5-7-14(15)22)26-27-21(28)32-16(4-2)19(30)25-20-23-11-13-31-20/h3,5-8,11,13,16H,1,4,9-10,12H2,2H3,(H,24,29)(H,23,25,30)/t16-/m0/s1 InChI=1/C21H23ClN6O2S2/c1-3-12-28-17(9-10-18(29)24-15-8-6-5-7-14(15)22)26-27-21(28)32-16(4-2)19(30)25-20-23-11-13-31-20/h3,5-8,11,13,16H,1,4,9-10,12H2,2H3,(H,24,29)(H,23,25,30)/t16-/m0/s1/f/h24-25H 3477.4624872140 -2539.5464111 1-A 28558.5714 128 410 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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0.1277 0.6858 0.1922 0.1826 0.6893 0.4145 0.1526 0.5017 0.5653 0.2167 0.2054 0.2385 0.1339 0.8571 0.8531 0.8430 0.8528 0.8571 0.8556 0.8426 0.8570 0.8534 0.8554 0.8435 0.8423 0.8453 0.8479 0.6801 0.8531 0.8462 0.2492 0.7977 0.8561 0.8555 0.8566 0.5523 0.2043 0.8449 0.8414 0.6876 0.8528 0.8552 0.6694 0.2919 0.3413 0.3827 0.7758 0.8470 0.5460 0.8433 0.2498 0.4538 0.8564 0.8569 0.8451 0.8571 0.7274 0.8571 0.8522 0.7918 0.8346 0.3248 0.6277 0.3948 0.3433 0.4881 0.5421 0.3775 0.5663 0.7354 0.8571 0.8481 0.4340 0.8070 0.8482 0.8568 0.5470 0.5099 0.3777 0.6321 0.4454 0.6367 0.8571 0.6669 0.8282 0.1280 0.8540 0.3707 0.8241 0.8566 0.8530 0.4783 0.6655 0.8562 0.7415 0.2399 0.6484 0.2703 0.8541 0.6029 0.6047 0.8365 0.8568 0.6029 0.2120 0.8563 0.7162 0.4922 0.8565 0.7160 0.4040 0.4288 0.7055 0.6756 0.3366 0.3642 0.3665 0.6809 0.7204 0.8571 0.3209 0.6462 0.7591 0.5526 0.8518 0.4051 0.7760 0.8570 0.4917 0.4959 0.5790 0.5795 0.8262 0.8450 0.5346 0.8235 0.4418 0.4873 0.5245 0.4803 0.3896 0.8369 0.3114 0.6827 0.7719 0.6390 0.2903 0.3034 0.3289 0.0868 0.0905 0.1294 0.2718 0.7454 0.8506 0.1206 0.7330 0.7965 0.8278 0.2264 0.8136 0.3224 0.3088 0.8161 0.5861 0.2648 0.6682 0.7223 0.3562 0.3408 0.3852 0.2362 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 6 6 6 1 6 8 7 6 7 6 6 16 16 6 7 7 6 7 6 6 6 6 6 6 8 7 6 6 6 6 6 6 17 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 1.00783 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 10888.5383 44607.1519 51215.5019 0.99998 0.00253 0.00545 -0.00257 0.99998 0.00611 -0.00543 -0.00613 0.99997 1 0.00795 0.00194 0.00169 0.16575 0.04046 0.03524 8.49 16.90 27.83 32.43 44.19 50.77 57.01 61.71 78.76 87.30 117.22 119.05 136.53 143.32 152.22 163.58 184.01 191.36 233.26 251.65 256.32 271.02 298.80 340.92 353.01 379.05 421.32 441.17 442.19 487.86 512.96 520.16 538.65 557.06 570.38 610.85 641.41 652.46 694.60 713.95 782.72 832.38 836.11 854.55 884.86 920.69 927.64 941.28 947.70 973.29 1004.81 1055.77 1066.71 1069.70 1113.77 1120.26 1153.41 1161.05 1172.80 1179.61 1200.15 1202.63 1234.23 1243.86 1272.97 1286.32 1306.95 1312.21 1372.52 1430.91 1431.65 1445.98 1490.72 1498.87 1521.32 1548.12 1558.41 1586.84 1599.41 1621.31 1621.87 1634.79 1636.39 1652.39 1658.64 1680.55 1706.91 1736.23 1744.49 1754.13 1764.15 1799.14 1812.00 1860.88 1865.46 1880.70 1881.84 1898.91 1911.65 1960.07 1966.17 1991.19 2034.73 2062.61 2069.91 2075.65 2084.97 2092.90 2117.84 2128.64 2164.61 2204.45 2215.45 2228.58 2261.55 2290.23 2303.25 2313.92 2326.06 2342.23 2345.73 2361.91 2364.15 2367.80 2373.46 2377.04 2431.07 2471.69 2484.03 2550.37 2557.06 2582.15 2590.13 2705.17 2831.00 2834.47 4615.22 4650.78 4659.63 4660.11 4693.56 4693.64 4693.84 4713.41 4724.21 4732.03 4756.32 4758.48 4798.73 4820.28 4850.80 4875.21 4898.07 4920.56 4922.36 4973.17 4994.75 5376.65 5580.25 0.459744 0.489787 0.490731 0.390074 -2539.086667 -2539.056624 -2539.055680 -2539.156337 3.376052D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CC[C@@H](C(=O)Nc1nccs1)Sc2nnc(n2CC=C)CCC(=O)Nc3ccccc3Cl C39760895 RHF 6-31G(d) (6D,10F) C1 490.101246 |X|Y|Z| 69.566864 37.100654 149.474361 72.797573 24 6 7 16 16 6 2 |36.858105| |12.473668|36.858105| |7.436056|12.418107|36.858105| |7.027520|8.806271|17.631839|0.500000| |4.896898|7.549401|12.466614|0.246454|36.858105| |4.434997|6.857328|7.981865|0.166451|15.915116|73.516695| |3.872376|5.120087|7.824295|0.206534|14.028736|15.056345|53.358707| |3.062141|3.864502|5.059523|0.134827|7.813971|11.995149|18.758682|36.858105| |2.648799|3.168660|4.031550|0.113073|5.324519|8.276084|11.245696|14.912333|53.358707| |2.274312|2.681503|3.217638|0.088694|4.125719|6.973565|7.425429|8.732950|18.840962|36.858105| |2.255652|2.701660|3.140181|0.083947|4.137376|7.521311|6.856889|7.898298|11.263657|14.249547|36.858105| |2.737162|3.462808|4.056028|0.103383|6.005403|11.945509|9.378111|10.953053|10.112836|7.541985|10.976735|388.023441| |5.700592|6.878220|10.349869|0.222061|6.918782|9.656683|7.741383|4.169566|4.834626|2.901927|2.798995|24.336335|388.023441| |4.373242|4.714342|6.869917|0.201367|5.369331|7.364881|7.425407|4.101179|5.138812|2.999766|2.750094|22.410628|76.997841|36.858105| |3.967719|4.316865|6.359010|0.212275|5.435221|7.244157|8.528654|4.642748|6.054861|3.380431|2.985830|23.752915|49.775437|14.848021|53.358707| |3.227428|3.342817|4.393712|0.141249|3.933009|5.633961|6.135792|3.736822|5.202687|3.035084|2.645167|20.007615|35.123060|8.915489|19.008383|53.358707| |3.108268|3.140356|3.959712|0.120712|3.469742|5.130613|5.113945|3.178924|4.345077|2.635515|2.355019|17.879426|35.153211|8.883454|12.127695|20.245618|36.858105| |3.610802|3.665609|4.684695|0.135928|3.901436|5.746476|5.434944|3.272203|4.273320|2.597420|2.381297|18.709895|49.283184|14.025268|11.935925|11.924415|13.914376|53.358707| |3.338605|3.305492|3.899067|0.107584|3.291660|5.093796|4.401903|2.746341|3.562396|2.244528|2.105402|16.531240|41.861004|7.519949|7.228743|7.221674|7.481870|17.763232|36.858105| |2.890491|2.985267|3.486681|0.092576|3.137901|4.996206|4.218723|2.723149|3.539728|2.271460|2.149774|16.773195|36.861347|5.788756|5.972387|5.868399|5.523062|10.506550|12.656170|36.858105| |2.845602|2.961317|3.321516|0.085374|3.024707|4.978017|3.935910|2.570428|3.283179|2.144828|2.075822|16.407960|34.684863|4.658799|4.936504|4.666881|4.072050|7.314025|7.646197|14.461338|36.858105| |2.562528|2.540473|3.027258|0.090597|2.728843|4.189437|3.985110|2.596879|3.618615|2.279841|2.047417|15.162849|25.859720|5.293209|7.206826|10.476949|12.717483|10.239157|6.118522|4.879561|3.655676|36.858105| |2.276835|2.270166|2.680936|0.081355|2.490169|3.849156|3.727685|2.496574|3.587331|2.282263|2.017523|14.554453|21.381348|4.146609|6.203705|9.160306|7.625316|6.813515|4.136568|3.576899|2.868099|12.495792|36.858105| |1.962864|1.940527|2.222907|0.066311|2.082766|3.292836|3.065602|2.094937|3.003652|1.966629|1.761691|12.595256|17.610322|3.181790|4.566718|5.973862|4.953676|5.149921|3.436982|3.089362|2.551969|7.577675|12.538381|36.858105| |1.901970|1.866999|2.110297|0.062117|1.964943|3.134975|2.842769|1.940092|2.744461|1.811318|1.644228|11.843626|17.031814|3.002830|4.139026|5.182126|4.499560|4.974800|3.528043|3.200764|2.648942|6.936788|7.984017|15.895196|73.516695| |1.789051|1.775571|2.017302|0.060309|1.919787|3.057587|2.846454|1.978530|2.874503|1.906984|1.701134|11.976711|15.498960|2.723387|3.995602|5.058496|3.886290|4.192318|2.789603|2.560558|2.178101|5.099410|7.919120|13.966123|14.912988|53.358707| |1.589011|1.572828|1.757406|0.052056|1.682408|2.715014|2.470596|1.735702|2.513241|1.696688|1.528810|10.711151|13.404579|2.276149|3.286108|3.972702|3.045149|3.455704|2.370988|2.217076|1.928708|3.808199|5.045276|7.628644|11.555192|18.491383|36.858105| |1.509021|1.486118|1.643102|0.048202|1.566717|2.547177|2.271310|1.593687|2.282327|1.549787|1.412427|9.957235|12.674481|2.115792|2.981582|3.528937|2.777179|3.246983|2.300679|2.172067|1.904991|3.491095|4.216556|6.289222|11.731656|10.534498|13.662471|36.858105| |1.363182|1.342391|1.468822|0.042882|1.408534|2.309805|2.032554|1.436930|2.054996|1.410910|1.294159|9.089013|11.223619|1.834150|2.576101|2.976286|2.311317|2.769329|1.980342|1.890727|1.688677|2.786621|3.236605|4.321512|8.022084|6.980983|7.904001|13.777961|36.858105| |1.294404|1.278800|1.396518|0.040849|1.349007|2.217971|1.954528|1.392082|2.002184|1.383711|1.267293|8.832383|10.517747|1.707845|2.424303|2.778597|2.110418|2.533648|1.791305|1.713443|1.541543|2.471812|2.900401|3.663557|6.424121|6.164206|6.791257|7.905608|13.767310|36.858105| |1.342430|1.331367|1.462977|0.043064|1.419111|2.323608|2.074667|1.481975|2.149995|1.483543|1.347877|9.335696|10.911427|1.786648|2.576168|2.975904|2.218062|2.625932|1.821974|1.733587|1.552642|2.573766|3.127902|3.876770|6.391495|7.026317|7.853487|6.876680|7.993423|13.789724|36.858105| |1.481207|1.471401|1.635236|0.048472|1.581611|2.566107|2.331124|1.656244|2.415428|1.648124|1.483451|10.286220|12.231936|2.044349|2.982821|3.530263|2.620845|3.023144|2.062443|1.942945|1.715866|3.099504|3.989604|5.122802|7.866401|10.756507|13.653176|7.980629|6.944950|7.963423|13.787875|36.858105| |1.527260|1.528534|1.710133|0.051142|1.670606|2.699741|2.497531|1.788235|2.646828|1.805661|1.605501|11.008500|12.520123|2.099658|3.145821|3.719226|2.644316|3.026020|2.011888|1.889015|1.671722|2.988043|3.916222|4.422110|6.477385|8.706700|6.956151|4.742887|4.237985|4.778899|7.080966|10.869248|448.794386| |17.539071|8.776802|6.762203|0.208854|4.596998|7.168399|5.230111|3.038119|3.641076|2.281341|2.230245|18.884117|35.740902|4.328661|5.634652|4.632442|3.202270|4.883404|3.215869|2.734433|2.625920|2.639915|2.381463|2.040726|3.482515|2.544871|1.654528|1.560311|1.406980|1.340061|1.396828|1.546753|12.895386|0.500000| |17.577216|8.739358|6.660855|0.174065|4.417292|7.048638|4.909154|2.875518|3.437387|2.171461|2.138325|18.164969|45.335902|4.792055|5.572662|4.594948|3.373429|5.542387|3.891673|3.273764|3.231851|2.776132|2.403401|2.072755|3.607158|2.536808|1.651301|1.578092|1.419642|1.337975|1.380304|1.524756|12.484966|0.301429|0.500000| |17.560476|8.842239|5.455915|0.142282|4.086743|6.985452|4.480480|2.711311|3.216810|2.074289|2.083250|17.859429|31.608967|3.517299|4.406895|3.712805|2.650649|4.116309|2.879398|2.553055|2.560096|2.250770|2.023296|1.775353|3.076089|2.220075|1.464580|1.398600|1.273163|1.212157|1.253122|1.372303|11.331132|0.301939|0.302074|0.500000| |8.869964|17.574335|8.974728|0.206503|7.302704|12.838592|6.881641|3.946253|4.364674|2.746373|2.806234|25.933311|36.581242|3.936181|5.198533|4.123105|2.793302|4.268725|2.818534|2.585977|2.560287|2.301680|2.106218|1.813376|3.085114|2.288355|1.497713|1.410582|1.281110|1.228666|1.283593|1.414098|11.889405|0.211196|0.172803|0.214518|0.500000| |8.803397|17.577139|8.837894|0.173707|6.736013|12.398703|6.251099|3.636348|4.050165|2.574847|2.645462|24.356170|47.109597|4.278022|5.161670|4.101689|2.904792|4.684341|3.233372|3.022606|3.104876|2.389322|2.121729|1.835520|3.169098|2.282880|1.495426|1.423366|1.290369|1.227035|1.270997|1.397636|11.573330|0.172470|0.208467|0.212615|0.306015|0.500000| |3.842286|4.763692|7.480617|0.227060|9.309736|10.820086|25.815351|9.429010|10.570691|5.010493|4.345967|37.207054|42.062324|6.636171|12.000931|7.930996|4.530410|6.344971|3.567295|3.322604|2.996700|3.391078|3.178374|2.539134|4.130207|3.187650|2.000538|1.821828|1.614976|1.549145|1.652450|1.876726|16.222677|0.109034|0.101589|0.089308|0.126466|0.116003|0.500000| |2.052372|2.361661|2.791988|0.078101|3.403881|5.732356|5.904060|6.016533|12.294359|17.770753|8.882102|37.897922|18.337654|2.729441|4.200735|3.918867|2.511455|3.302114|2.107999|2.135416|2.005122|2.220360|2.267587|1.972995|3.213914|2.638299|1.732644|1.574704|1.437902|1.418909|1.529436|1.697885|15.077217|0.057563|0.054832|0.052272|0.066854|0.062976|0.116677|0.500000| |2.031985|2.397499|2.704470|0.072235|3.432123|6.385244|5.380368|5.498661|7.781784|8.772789|17.806214|54.860647|17.415340|2.392754|3.484395|3.144721|2.089789|2.875426|1.900021|1.951890|1.902269|1.848843|1.828276|1.619804|2.702004|2.140996|1.427707|1.325295|1.222572|1.200959|1.274286|1.392209|12.063257|0.055681|0.053653|0.052797|0.069343|0.065904|0.097088|0.201482|0.500000| |3.826649|3.664993|4.159311|0.112693|3.363931|5.254673|4.318554|2.660725|3.383254|2.140893|2.037321|16.279217|46.003117|6.934345|6.602003|6.196284|5.779002|12.509254|17.612554|8.890969|7.259451|4.773713|3.489436|2.968604|5.409545|3.368799|2.139594|2.084604|1.819490|1.657252|1.682775|1.886063|14.838767|0.100004|0.130046|0.091177|0.084749|0.100441|0.095301|0.055463|0.051224|0.500000| |2.964970|2.866380|3.289108|0.092946|2.822441|4.420488|3.826604|2.437632|3.219167|2.053774|1.919250|14.800064|31.953725|5.719328|6.182818|6.695833|7.172380|12.621095|17.611373|8.905393|6.021282|7.079859|4.526661|3.876440|7.350415|4.148778|2.585758|2.543443|2.164606|1.929372|1.945714|2.207467|16.945323|0.080944|0.094980|0.072314|0.069316|0.077354|0.086257|0.054270|0.048486|0.303628|0.500000| |2.573485|2.687752|3.169960|0.085393|2.960439|4.719067|4.118944|2.726602|3.630239|2.343211|2.190872|16.700823|31.343373|5.214319|5.793552|5.970942|5.618354|9.333725|8.652958|17.676694|9.158551|5.242425|3.877639|3.359953|6.184295|3.762915|2.380022|2.327087|2.011532|1.816657|1.839709|2.072125|16.108166|0.068656|0.078967|0.063566|0.066028|0.074986|0.090803|0.061860|0.055318|0.171765|0.205030|0.500000| |3.114946|3.186534|3.448771|0.087421|3.052976|5.077735|3.848509|2.483231|3.125023|2.043488|1.998697|16.042811|36.297400|4.474053|4.704396|4.348250|3.714838|6.719528|6.937813|9.086004|17.698419|3.303769|2.630038|2.349062|4.325441|2.754923|1.803327|1.782757|1.590714|1.457882|1.467777|1.614635|12.667327|0.078217|0.100648|0.078293|0.075383|0.094477|0.080491|0.052794|0.050992|0.217923|0.153480|0.173466|0.500000| |2.517795|2.656878|2.950134|0.075643|2.790421|4.688947|3.666045|2.460961|3.164133|2.104068|2.051309|16.040947|28.955484|3.874524|4.315146|4.113990|3.486365|5.854506|5.482981|9.115266|17.727462|3.215525|2.614343|2.368646|4.374617|2.790154|1.835701|1.820996|1.627470|1.489948|1.496719|1.643163|12.836739|0.064728|0.077654|0.063875|0.065036|0.078065|0.076485|0.054876|0.052664|0.143146|0.129828|0.218583|0.289218|0.500000| |2.375029|2.384193|2.815391|0.081917|2.589203|4.035191|3.763930|2.497646|3.483038|2.227266|2.012079|14.817833|24.599604|4.765857|6.206543|8.131418|8.952264|9.191373|6.250356|5.533084|4.017992|17.568818|8.870523|6.961320|12.656094|6.468234|3.696235|3.504479|2.807969|2.460659|2.521512|2.991379|22.628900|0.066775|0.071601|0.058527|0.060025|0.063431|0.087194|0.060447|0.050759|0.130308|0.204048|0.179141|0.097243|0.099524|0.500000| |2.577777|2.484372|2.878929|0.086174|2.541109|3.940298|3.617086|2.347401|3.224728|2.053105|1.869704|13.961178|24.502071|4.749360|6.223596|8.206557|8.954464|9.092095|6.107774|4.599901|3.540928|17.565686|8.875149|6.970665|12.692761|6.470038|3.698076|3.505066|2.808763|2.461838|2.523130|2.993539|22.648971|0.074021|0.078641|0.063253|0.062311|0.064922|0.084090|0.055405|0.047217|0.138349|0.219233|0.129888|0.091300|0.085577|0.305242|0.500000| |2.369961|2.336373|2.751077|0.085489|2.528377|3.884958|3.787354|2.512998|3.604818|2.278442|2.011504|14.564842|21.183952|4.092500|6.378584|9.468919|6.960980|6.382235|3.795029|3.204281|2.631196|8.834433|17.564829|8.908971|10.980889|9.750549|4.750399|3.888825|3.063288|2.812065|3.086433|3.942118|32.624602|0.070141|0.068911|0.058352|0.060590|0.059806|0.090436|0.062758|0.050532|0.092329|0.113361|0.093276|0.068458|0.066377|0.173619|0.211110|0.500000| |2.208668|2.251453|2.693960|0.081280|2.574261|3.973823|3.954334|2.698381|3.974661|2.522626|2.191106|15.538013|21.234673|4.099868|6.354104|9.341677|6.953020|6.411814|3.826928|3.473967|2.809287|8.833016|17.561851|8.906587|10.969835|9.760630|4.751764|3.891585|3.064468|2.812138|3.085562|3.940542|32.586911|0.063860|0.064002|0.054561|0.058457|0.058610|0.094260|0.070358|0.054924|0.089786|0.111064|0.107280|0.070837|0.072266|0.211091|0.173643|0.305322|0.500000| |1.825435|1.822703|2.085561|0.062884|1.999460|3.169517|3.003060|2.096179|3.082286|2.036995|1.798024|12.565742|15.742749|2.782700|4.199601|5.365541|3.918019|4.175498|2.704844|2.478686|2.116458|4.834475|7.801027|9.490292|10.884634|26.073839|9.360182|5.749188|4.285454|4.059582|4.882888|7.551802|62.690727|0.053319|0.052367|0.046111|0.048220|0.047536|0.069130|0.057848|0.046025|0.067044|0.080326|0.074048|0.054802|0.055339|0.121653|0.121631|0.216598|0.217063|0.500000| 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