Version2.0 2020-07-31T16:08:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1[C@H]([C@@H](C(=O)NC1=S)[C@@H]2[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2)O C63375937 RHF 6-31G(d) (6D,7F) CCCCN1[C@H]([C@@H](C(=O)NC1=S)[C@@H]2[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2)O C01[X(C20H27N4O3S1)] 159 C1 478 CCCCN1C(=S)NC(=O)[C@H]([C@@H]1O)[C@H]1NCCC2=c3c(=[NH+][C@H]12)ccc(c3)OC CCCCN1C(=S)NC(=O)[C@H]([C@@H]1O)[C@H]1NCCC2=c3c(=[NH+][C@H]12)ccc(c3)OC CCCCN1[C@@H](O)[C@H]([C@H]2NCCC3=C4C=C(OC)C=CC4=[NH+][C@H]23)C(=O)NC1=S InChIKey=XBWMYXHDRYROKW-NTDBWNAOSA-O InChI=1S/C20H26N4O3S/c1-3-4-9-24-19(26)15(18(25)23-20(24)28)17-16-12(7-8-21-17)13-10-11(27-2)5-6-14(13)22-16/h5-6,10,15-17,19,21,26H,3-4,7-9H2,1-2H3,(H,23,25,28)/p+1/t15-,16+,17-,19+/m1/s1 InChI=1/C20H26N4O3S/c1-3-4-9-24-19(26)15(18(25)23-20(24)28)17-16-12(7-8-21-17)13-10-11(27-2)5-6-14(13)22-16/h5-6,10,15-17,19,21,26H,3-4,7-9H2,1-2H3,(H,23,25,28)/p+1/t15-,16+,17-,19+/m1/s1/fC20H27N4O3S/h22-23H/q+1 CCCCN1[C@H]([C@@H](C(=O)NC1=S)[C@@H]2[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2)O C01[X(C20H27N4O3S1)] 159 C01 478 CCCCN1C(=S)NC(=O)[C@H]([C@@H]1O)[C@H]1NCCC2=c3c(=[NH+][C@H]12)ccc(c3)OC CCCC[N]1[C](=S)NC(=O)[C@H]([C@@H]1O)[C@H]1NCCC2=[C]3[C]([NH][C@H]12)[CH]=[CH][C](=[CH]3)OC CCCCN1[C@@H](O)[C@H]([C@H]2NCCC3=C4C=C(OC)C=C[C]4N[C@H]23)C(=O)NC1=S InChIKey=CZRNMLAZVMNNGY-NTDBWNAOSA-N InChI=1S/C20H27N4O3S/c1-3-4-9-24-19(26)15(18(25)23-20(24)28)17-16-12(7-8-21-17)13-10-11(27-2)5-6-14(13)22-16/h5-6,10,15-17,19,21-22,26H,3-4,7-9H2,1-2H3,(H,23,25,28)/t15-,16+,17-,19+/m1/s1 InChI=1/C20H27N4O3S/c1-3-4-9-24-19(26)15(18(25)23-20(24)28)17-16-12(7-8-21-17)13-10-11(27-2)5-6-14(13)22-16/h5-6,10,15-17,19,21-22,26H,3-4,7-9H2,1-2H3,(H,23,25,28)/t15-,16+,17-,19+/m1/s1/f/h23H 2881.0897923162 -1612.7814647 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1.00783 1.00783 1.00783 1.00783 1.00783 5789.3772 22630.9449 25527.2701 0.99988 -0.01308 -0.00857 0.01294 0.99979 -0.01615 0.00878 0.01604 0.99983 1 0.01496 0.00383 0.00339 0.31173 0.07975 0.07070 22.78 33.60 40.06 59.61 73.47 111.06 116.87 127.49 143.75 155.12 192.70 196.58 202.90 221.09 247.59 264.95 299.05 334.09 371.19 377.14 380.79 395.44 449.22 478.37 502.39 521.11 526.77 560.96 566.56 620.03 633.58 677.09 696.37 705.68 740.82 755.68 785.39 808.41 823.79 868.06 875.05 888.00 913.20 972.71 1008.20 1032.54 1064.78 1103.78 1132.68 1144.45 1156.48 1176.31 1183.45 1217.85 1241.55 1260.18 1273.31 1342.84 1356.29 1366.74 1386.54 1415.67 1430.40 1453.60 1474.10 1493.02 1558.80 1572.86 1608.77 1633.58 1636.99 1641.63 1649.43 1677.05 1691.67 1708.63 1728.21 1762.01 1772.76 1785.20 1796.12 1811.39 1825.15 1846.88 1860.57 1894.75 1909.06 1932.27 1941.36 1950.57 1960.90 1987.82 2021.70 2028.75 2035.35 2045.05 2058.81 2076.43 2085.62 2094.58 2099.38 2109.69 2130.24 2139.68 2177.31 2196.41 2197.08 2225.80 2233.00 2244.51 2257.88 2268.35 2273.98 2290.85 2330.05 2341.33 2344.68 2353.87 2363.95 2365.57 2369.00 2370.40 2376.13 2379.54 2384.66 2388.82 2404.31 2424.63 2521.87 2576.06 2667.91 2887.13 4572.73 4589.85 4596.54 4603.36 4611.27 4639.08 4640.99 4643.82 4650.89 4683.67 4685.00 4701.92 4716.84 4718.82 4724.55 4743.01 4747.37 4751.00 4801.95 4842.67 4893.90 4914.50 4932.35 5467.70 5510.23 5565.31 5883.57 0.499674 0.524779 0.525724 0.442156 -1612.281791 -1612.256685 -1612.255741 -1612.339309 2.802884D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE CCCCN1[C@H]([C@@H](C(=O)NC1=S)[C@@H]2[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2)O C63375937 RHF 6-31G(d) (6D,10F) C1 403.180388 |X|Y|Z| 50.793408 30.689295 107.183414 55.077466 19 6 7 15 4 |36.858105| |12.467948|36.858105| |7.487913|12.448952|36.858105| |4.886862|7.528223|12.485791|36.858105| |3.772899|4.940225|7.602810|12.906840|53.358707| |3.232574|4.020243|5.521045|7.673070|17.881063|36.858105| |3.533874|4.399267|5.991444|7.585631|12.757179|17.623264|0.500000| |2.759456|3.210556|4.229509|5.014508|10.417434|12.465871|0.245304|36.858105| |2.443807|2.815797|3.522646|4.171565|7.805589|9.064233|0.200248|17.612906|0.500000| |2.537804|2.916443|3.775557|4.439001|9.203295|7.557230|0.154528|12.570288|0.257307|36.858105| |2.216520|2.479677|3.083027|3.476659|6.472859|5.256741|0.118340|8.043221|0.207906|15.997782|73.516695| |2.738882|3.215767|4.234799|5.171394|11.240895|6.993830|0.142954|7.786852|0.167856|13.948559|15.122041|53.358707| |3.304665|4.092442|5.741182|7.769471|19.263058|7.807349|0.162127|6.565292|0.141412|7.721891|9.588407|18.837664|36.858105| |3.322813|4.045066|5.170242|6.200546|9.669431|4.756286|0.112289|4.185122|0.098205|4.852482|7.027030|9.933259|11.472938|388.023441| |2.802114|3.107727|4.050345|4.249818|7.661391|7.281257|0.196360|12.357065|0.247720|7.614489|11.295957|7.487753|4.933449|25.118744|36.858105| |2.482118|2.696382|3.403377|3.537233|6.222395|5.454977|0.141635|8.950021|0.210068|7.540145|13.169574|7.108639|4.375064|23.293430|17.496005|0.500000| |2.628283|2.866297|3.526338|3.638333|5.908192|5.749156|0.178277|7.427404|0.200626|4.961309|7.983699|5.327053|3.699751|20.158259|12.295706|0.247995|36.858105| |2.849659|3.162274|3.869027|4.025915|6.279764|6.348346|0.224471|6.853347|0.185115|4.492304|6.969537|5.089930|3.719775|20.310458|8.759135|0.174228|17.559065|0.500000| |2.541383|2.649722|3.160589|3.072633|4.731041|4.125860|0.127098|4.925066|0.130134|3.845874|6.479326|4.368582|3.075512|17.707941|7.670174|0.194247|12.698773|0.247811|36.858105| |2.157322|2.236302|2.589470|2.560471|3.908785|3.378377|0.100712|4.037359|0.113493|3.330929|5.879348|3.782822|2.615065|15.408508|5.539889|0.157063|8.165158|0.173965|14.085798|36.858105| |1.942992|1.973260|2.228697|2.173683|3.243282|2.698385|0.079565|3.115643|0.087197|2.715302|4.874122|3.182136|2.213532|13.464930|3.993893|0.116036|5.059563|0.119709|7.427886|13.180198|36.858105| |1.719064|1.753892|1.957825|1.938738|2.887886|2.400408|0.069719|2.759313|0.079227|2.458062|4.493666|2.888630|1.994069|12.248358|3.345224|0.098473|4.094776|0.099451|5.144279|7.969648|14.180234|36.858105| |1.651373|1.712090|1.915981|1.941330|2.923312|2.476818|0.071072|2.881577|0.085764|2.561579|4.742498|2.965385|2.021983|12.313832|3.368971|0.099659|4.152731|0.100803|4.662882|6.896765|7.824123|13.048460|36.858105| |1.757576|1.852495|2.100520|2.168120|3.322913|2.905590|0.083009|3.468443|0.107031|2.995236|5.540423|3.375736|2.277699|13.573259|4.024930|0.118498|5.190825|0.122773|5.305203|7.654005|6.579459|7.685305|14.143094|36.858105| |2.020615|2.142079|2.481649|2.550655|3.968819|3.565270|0.103786|4.395209|0.133634|3.572145|6.422229|3.934646|2.662646|15.469492|5.559268|0.159675|8.367912|0.177391|8.482867|13.212126|7.610848|6.801123|8.084265|13.397872|36.858105| |2.205603|2.397495|2.843317|3.010311|4.838364|4.646594|0.134777|6.052559|0.195692|4.460436|7.739228|4.716354|3.167464|17.709148|7.535779|0.198799|13.140527|0.253425|8.301441|8.414674|5.273135|4.649018|5.267941|7.719956|14.506517|53.358707| |2.106871|2.321997|2.736029|2.987914|4.840832|4.765084|0.133432|6.153753|0.225844|4.578222|7.998958|4.800241|3.187479|17.743259|6.416001|0.169898|8.747055|0.206346|5.833503|5.912824|4.227040|3.952979|4.665650|6.849457|9.305289|26.009687|0.500000| |1.565597|1.582401|1.741506|1.715866|2.524431|2.058308|0.059481|2.320335|0.066219|2.115710|3.879168|2.535247|1.760003|11.010967|2.732804|0.080204|3.194057|0.079997|3.865432|5.196164|7.949060|14.334295|8.234505|5.310755|4.630332|4.785209|0.086647|73.516695| |1.565046|1.558982|1.702314|1.651121|2.401309|1.923149|0.055797|2.136108|0.059820|1.963675|3.570655|2.391782|1.677852|10.626692|2.523257|0.073448|2.879475|0.073151|3.554051|4.440393|6.682637|8.037497|5.226379|3.943984|3.742559|4.091207|0.074167|24.002254|36.858105| |2.908012|2.927840|3.503018|3.193262|4.753621|3.854176|0.119887|4.310118|0.107412|3.542250|5.852686|4.249832|3.097868|18.302068|6.410267|0.160240|7.418418|0.181448|12.778593|7.341468|5.721480|4.102771|3.573118|3.797520|5.123115|6.996088|0.114259|5.947257|3.296481|36.858105| |3.158837|3.213758|4.066372|3.644024|5.653587|4.340095|0.128410|5.006222|0.115956|4.301173|6.955229|5.219824|3.783928|22.007685|7.808759|0.197566|6.547476|0.156850|7.786281|5.287878|4.279490|3.345286|3.047468|3.289440|4.270717|6.231271|0.106801|5.006541|2.769960|12.374436|36.858105| |3.397553|3.695351|5.066252|4.782312|8.121278|6.449156|0.188485|7.654053|0.157052|5.894403|8.655280|6.965155|5.111204|27.018859|13.156558|0.249125|7.978553|0.197249|6.933258|4.773359|3.691196|3.025524|2.908547|3.281754|4.307971|6.990459|0.123534|4.515770|2.431908|7.813360|13.115127|53.358707| |2.777136|3.434907|4.276107|6.002752|10.989639|13.662949|0.259214|8.226765|0.232374|6.223269|8.437565|7.979645|6.158476|29.928159|5.180367|0.119682|4.594191|0.140429|3.409108|2.961347|2.418112|2.215027|2.340535|2.763835|3.252031|5.701874|0.127858|3.410849|1.777383|3.104873|3.338373|6.045927|73.516695| |17.548156|8.779698|6.789663|4.512821|4.971748|3.066436|0.090514|2.688413|0.065691|2.539729|3.968099|3.781145|3.340371|24.776374|2.747499|0.068667|2.519939|0.074185|2.459874|2.096277|1.900776|1.682604|1.610914|1.706868|1.955987|2.889033|0.056211|2.734344|1.543925|2.841658|3.182528|4.584089|4.664568|0.500000| |17.568942|8.789252|5.464574|4.059693|4.351015|2.804986|0.084587|2.415779|0.060544|2.237681|3.519918|3.271381|2.849223|20.688169|2.434892|0.060648|2.323697|0.069931|2.257407|1.952445|1.779334|1.590123|1.530685|1.620490|1.839517|2.709970|0.053168|2.595645|1.462864|2.542089|2.696881|3.893720|4.423148|0.301948|0.500000| |17.531466|8.769403|6.777084|4.510362|4.964966|3.255333|0.101599|2.824072|0.069548|2.541757|3.965028|3.636433|3.144942|21.585410|2.961736|0.072368|2.838845|0.086141|2.802654|2.350708|2.117435|1.852108|1.761163|1.867399|2.164680|3.194779|0.061495|2.989639|1.689323|3.293725|3.496053|4.983781|4.904342|0.301343|0.301878|0.500000| |8.861904|17.503269|8.837371|6.921142|6.269868|4.005922|0.126143|3.140060|0.078128|2.779960|4.221392|4.070997|3.710222|25.132252|3.017420|0.072240|2.881653|0.090529|2.641022|2.242089|1.973779|1.761330|1.728179|1.876033|2.164737|3.307483|0.065758|2.822049|1.557515|2.861643|3.024141|4.731487|6.270053|0.173010|0.213141|0.210673|0.500000| |8.866962|17.531829|8.864910|6.925156|6.282670|3.670685|0.106697|2.958208|0.072814|2.777604|4.225579|4.275719|4.040491|30.567434|2.793972|0.068600|2.552367|0.077027|2.350940|2.020096|1.796436|1.614994|1.586781|1.714790|1.957740|2.974188|0.059457|2.606380|1.442496|2.553045|2.816953|4.389445|5.792799|0.211063|0.213128|0.172971|0.303710|0.500000| |6.850958|8.848931|17.559279|8.912611|9.492719|4.890214|0.137872|4.047535|0.092697|3.841182|5.623117|6.085435|6.115255|42.722192|3.939255|0.094813|3.304289|0.096719|3.025169|2.497299|2.172658|1.910270|1.860267|2.024617|2.377405|3.661890|0.071645|3.036296|1.678192|3.405426|4.151100|6.865865|6.800944|0.203229|0.140289|0.168130|0.173517|0.212649|0.500000| |6.864424|8.825791|17.517928|8.871544|9.452869|5.788446|0.190802|4.567821|0.104660|3.854686|5.623290|5.540708|5.122545|30.679076|4.679095|0.105661|4.153499|0.129288|3.754744|2.970586|2.519489|2.173037|2.105495|2.311472|2.787987|4.358783|0.083730|3.402362|1.872703|4.299634|4.963319|8.545903|7.604770|0.169148|0.140307|0.203359|0.210622|0.173538|0.302547|0.500000| |4.540411|6.857464|8.856050|17.559700|12.522279|7.717672|0.238611|4.816299|0.116816|4.031349|5.734226|5.980468|5.855351|33.523818|4.072191|0.093307|3.708584|0.118935|3.085250|2.587928|2.187652|1.959614|1.975935|2.219965|2.608387|4.222608|0.086456|3.076718|1.656905|3.132635|3.401959|5.963289|11.759536|0.111358|0.108689|0.119976|0.207056|0.170334|0.174274|0.213244|0.500000| |4.546314|6.902629|8.833640|17.674986|12.428743|5.855305|0.152338|4.190722|0.100338|3.987341|5.700775|6.622197|7.389728|51.039604|3.537366|0.085151|3.055634|0.091872|2.632625|2.250759|1.944436|1.756661|1.765311|1.957687|2.256975|3.568974|0.073113|2.792747|1.514862|2.722943|3.089891|5.267099|9.260918|0.119692|0.109029|0.111460|0.172666|0.208536|0.211836|0.173734|0.303436|0.500000| |2.507788|2.882837|3.645827|4.269186|8.124334|5.127165|0.112595|5.688480|0.133539|9.447923|13.868100|25.935179|9.443649|51.133851|4.463883|0.124126|3.329186|0.087711|2.834975|2.512607|2.160148|1.982490|2.033650|2.285721|2.605422|4.129931|0.085828|3.128715|1.666698|2.779303|3.387357|5.757601|8.215298|0.071623|0.061847|0.067500|0.074140|0.079667|0.109397|0.096332|0.101941|0.116905|0.500000| |1.985528|1.982015|2.221491|2.122837|3.122506|2.537950|0.075190|2.869242|0.078486|2.534647|4.510360|3.032704|2.136462|13.177891|3.669604|0.105373|4.424705|0.108106|6.581521|8.728010|17.786126|8.982586|5.558280|4.803009|5.492790|5.832067|0.098110|12.398981|7.270968|6.027448|4.391325|4.894640|4.008037|0.054192|0.050526|0.060600|0.054788|0.049962|0.060523|0.070024|0.058976|0.052839|0.057460|0.500000| |1.511575|1.564404|1.733172|1.761195|2.633382|2.205675|0.062821|2.528652|0.075428|2.295332|4.276911|2.691986|1.837377|11.330805|2.863008|0.084550|3.393807|0.084599|3.692053|4.968454|5.661875|8.836610|17.732572|9.053385|5.688499|5.706584|0.108579|13.886363|4.948681|2.979833|2.608780|3.412934|3.764689|0.041024|0.039178|0.044538|0.043900|0.040553|0.046858|0.052359|0.049812|0.044918|0.051785|0.124008|0.500000| |1.670216|1.775644|2.004700|2.103756|3.231972|2.839937|0.079906|3.368788|0.107306|2.950369|5.510906|3.325263|2.229253|13.304855|3.685782|0.107952|4.538441|0.111141|4.302177|5.492454|4.800620|5.509001|8.983811|17.753188|8.729032|9.237895|0.193800|7.638832|3.310995|3.230144|2.903235|4.060106|4.956832|0.045014|0.042968|0.048860|0.050112|0.046019|0.053593|0.060497|0.060118|0.053210|0.062832|0.105010|0.215378|0.500000| |1.633575|1.617860|1.755960|1.690165|2.433256|1.948269|0.057214|2.133040|0.059439|1.936396|3.473167|2.372827|1.683500|10.666920|2.525387|0.072017|2.928521|0.075751|3.672403|4.487049|6.673675|7.075511|4.730369|3.738250|3.675694|4.072386|0.073458|16.440823|17.582567|3.474805|2.830144|3.364523|3.189242|0.044533|0.042476|0.049361|0.045094|0.041358|0.047800|0.054006|0.047338|0.042920|0.045691|0.218014|0.121379|0.087301|0.500000| |1.440840|1.433537|1.552929|1.510644|2.186715|1.740013|0.050223|1.917439|0.053865|1.782386|3.251272|2.188487|1.536708|9.822017|2.218398|0.064505|2.489548|0.063984|2.964626|3.580929|4.892447|5.908241|4.427110|3.411883|3.167129|3.555344|0.065793|16.957866|17.684812|2.780368|2.401354|2.913883|2.887485|0.039538|0.037635|0.042973|0.039808|0.037059|0.042597|0.047047|0.042124|0.038774|0.042628|0.143244|0.124278|0.082442|0.299579|0.500000| |1.609055|1.596409|1.753957|1.690777|2.471135|1.962258|0.056618|2.198351|0.060872|2.042196|3.730462|2.488706|1.738997|11.034216|2.631014|0.077678|2.930860|0.073418|3.673092|4.485786|6.675833|7.078961|4.732367|3.739862|3.678000|4.078573|0.073458|16.441524|17.582489|3.502878|2.990378|3.489712|3.192436|0.044412|0.041594|0.048233|0.043953|0.041034|0.048443|0.053623|0.046716|0.043084|0.048328|0.217682|0.121440|0.087358|0.297889|0.299586|0.500000| |3.263956|3.255057|3.835877|3.399714|4.847087|3.903521|0.127258|4.061932|0.101395|3.285359|5.308485|4.054694|3.061862|18.243023|5.547325|0.131446|6.575003|0.186856|9.014091|5.850992|4.755566|3.592260|3.192738|3.400189|4.446309|6.265363|0.105966|5.342734|2.983103|17.549956|8.853116|9.505114|5.588173|0.086508|0.078838|0.105963|0.089682|0.077053|0.100372|0.135819|0.094348|0.079509|0.073288|0.139211|0.075330|0.082133|0.089238|0.071045|0.085975|0.500000| |2.647307|2.600055|3.010313|2.733694|4.002904|3.169180|0.096300|3.519663|0.089843|3.038363|5.160651|3.700610|2.681960|16.346173|4.869391|0.130963|5.468478|0.135546|8.906913|6.836261|6.304393|4.370753|3.589479|3.618298|4.609169|5.867655|0.098095|6.483408|3.752587|17.607618|8.748008|7.665980|4.700841|0.072647|0.065281|0.083160|0.070449|0.063778|0.082576|0.099505|0.074371|0.066271|0.068760|0.209181|0.083732|0.084765|0.111314|0.086385|0.113751|0.301062|0.500000| |3.551099|3.469698|4.346597|3.654575|5.396883|3.896139|0.115662|4.189316|0.097779|3.753400|6.039156|4.831978|3.646492|22.182003|5.686126|0.144765|4.917667|0.127215|5.634613|4.188844|3.619044|2.906323|2.636764|2.790377|3.466799|4.993601|0.088626|4.488135|2.540263|8.845484|17.621650|12.534748|5.404818|0.101556|0.082903|0.110936|0.088584|0.083663|0.127064|0.148250|0.093168|0.086808|0.088584|0.106323|0.063950|0.069441|0.072724|0.061968|0.076238|0.218881|0.207374|0.500000| |2.739262|2.780813|3.437099|3.177355|5.012733|3.830406|0.108322|4.642935|0.110294|4.285907|7.317828|5.109442|3.535116|20.919145|7.024827|0.212267|5.714908|0.130724|6.853396|5.238157|4.407570|3.481459|3.152206|3.355887|4.257435|5.985742|0.103247|5.232675|2.895944|8.812401|17.480434|12.211596|5.433363|0.077794|0.066121|0.082396|0.072611|0.069453|0.099633|0.110458|0.082118|0.077032|0.094690|0.125479|0.075105|0.082006|0.080284|0.069666|0.088911|0.173864|0.216063|0.301502|0.500000| |3.585312|3.951532|5.687534|5.319752|9.455180|6.478198|0.174117|7.293874|0.145250|6.472753|9.130306|8.354016|6.315867|32.686656|9.318510|0.207567|5.799985|0.149615|5.112266|3.862698|3.137550|2.648651|2.566035|2.863850|3.592544|5.734462|0.106189|4.042204|2.192726|5.750725|9.363520|25.931105|7.884315|0.101354|0.082811|0.104195|0.099644|0.097208|0.168953|0.184720|0.126736|0.120428|0.139127|0.085678|0.062591|0.073749|0.061549|0.054309|0.064412|0.148456|0.127023|0.230920|0.211583|0.500000| |2.891319|3.677889|4.437463|6.600211|10.401865|9.770326|0.222418|6.001781|0.164213|4.962212|6.989143|6.901703|5.778038|30.156189|4.261558|0.100220|3.890387|0.120952|3.026035|2.645716|2.204396|2.026708|2.125009|2.466193|2.853142|4.824276|0.106318|3.157073|1.658545|2.828948|3.019429|5.306237|35.670039|0.075003|0.072568|0.078572|0.106978|0.098472|0.107728|0.118898|0.218281|0.165329|0.115478|0.057687|0.053856|0.069060|0.046709|0.042315|0.046445|0.080996|0.067716|0.078306|0.076454|0.109679|0.500000| 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