Version2.0 2020-03-01T04:08:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCN4CCOCC4)C[C@H](COCC#C)O)C C36207983 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCN4CCOCC4)C[C@H](COCC#C)O)C C01[X(C27H35N4O4S1)] 207 C1 614 C#CCOC[C@@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)CCN1CCOCC1)O C#CCOC[C@@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)CCN1CCOCC1)O Cc1ccc(C)c(c1)c2csc3N=C(C[NH+](CCN4CCOCC4)C[C@@H](O)COCC#C)NC(=O)c23 InChIKey=GQXUOTLISGAYJQ-OAQYLSRUSA-O InChI=1S/C27H34N4O4S/c1-4-11-35-17-21(32)15-31(8-7-30-9-12-34-13-10-30)16-24-28-26(33)25-23(18-36-27(25)29-24)22-14-19(2)5-6-20(22)3/h1,5-6,14,18,21,32H,7-13,15-17H2,2-3H3,(H,28,29,33)/p+1/t21-/m1/s1 InChI=1/C27H34N4O4S/c1-4-11-35-17-21(32)15-31(8-7-30-9-12-34-13-10-30)16-24-28-26(33)25-23(18-36-27(25)29-24)22-14-19(2)5-6-20(22)3/h1,5-6,14,18,21,32H,7-13,15-17H2,2-3H3,(H,28,29,33)/p+1/t21-/m1/s1/fC27H35N4O4S/h28,31H/q+1 Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCN4CCOCC4)C[C@H](COCC#C)O)C C01[X(C27H35N4O4S1)] 207 C01 614 C#CCOC[C@@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)CCN1CCOCC1)O C#CCOC[C@@H](C[NH](CC1=N[C@@H]2[C@H](C(=O)N1)C(=CS2)c1cc(C)ccc1C)CCN1CCOCC1)O Cc1ccc(C)c(c1)C2=CS[C@@H]3N=C(C[NH](CCN4CCOCC4)C[C@@H](O)COCC#C)NC(=O)[C@H]23 InChIKey=XDTAMNORDCIPGI-UDZXTKBFSA-N InChI=1S/C27H37N4O4S/c1-4-11-35-17-21(32)15-31(8-7-30-9-12-34-13-10-30)16-24-28-26(33)25-23(18-36-27(25)29-24)22-14-19(2)5-6-20(22)3/h1,5-6,14,18,21,25,27,31-32H,7-13,15-17H2,2-3H3,(H,28,29,33)/t21-,25+,27+/m1/s1 InChI=1/C27H37N4O4S/c1-4-11-35-17-21(32)15-31(8-7-30-9-12-34-13-10-30)16-24-28-26(33)25-23(18-36-27(25)29-24)22-14-19(2)5-6-20(22)3/h1,5-6,14,18,21,25,27,31-32H,7-13,15-17H2,2-3H3,(H,28,29,33)/t21-,25+,27+/m1/s1/f/h28H 3963.7293276040 -1957.2921164 1-A 28666.4957 136 478 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07299 -20.70486 -20.69105 -20.64101 -20.64063 -15.84131 -15.74864 -15.70650 -15.66592 -11.48752 -11.47422 -11.46140 -11.44227 -11.43591 -11.42612 -11.41895 -11.41017 -11.40561 -11.38750 -11.35724 -11.35343 -11.35079 -11.35020 -11.34915 -11.34365 -11.34203 -11.31337 -11.30889 -11.30484 -11.29786 -11.29180 -11.28765 -11.28271 -11.28142 -11.27918 -11.27214 -9.08347 -6.76595 -6.76497 -6.76330 -1.53571 -1.52200 -1.50761 -1.48692 -1.47349 -1.45072 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1361.31 1361.72 1402.66 1434.88 1438.90 1443.29 1459.89 1469.87 1501.99 1515.48 1525.27 1570.92 1572.18 1578.55 1598.18 1615.65 1622.82 1634.09 1634.72 1647.63 1656.65 1681.78 1683.12 1690.68 1691.52 1717.59 1731.93 1738.92 1764.17 1799.14 1824.33 1830.21 1836.28 1843.87 1860.15 1869.11 1883.97 1901.79 1907.59 1921.54 1931.51 1946.93 1954.08 1971.89 1992.52 1995.46 2014.04 2017.53 2039.63 2047.63 2067.35 2070.94 2083.08 2107.46 2115.51 2122.90 2157.13 2171.40 2182.84 2202.81 2216.22 2227.43 2229.46 2247.21 2247.96 2256.83 2260.18 2275.58 2278.87 2293.20 2296.83 2327.19 2336.12 2349.05 2353.92 2356.05 2357.56 2361.34 2362.91 2365.11 2369.40 2371.25 2379.31 2380.90 2382.78 2392.23 2396.90 2402.69 2408.00 2433.39 2507.58 2551.68 2618.92 2655.29 2890.63 3498.39 4530.71 4543.37 4562.13 4582.30 4595.74 4609.13 4612.20 4618.46 4618.58 4619.42 4650.23 4653.65 4674.96 4687.15 4693.18 4698.26 4702.26 4708.58 4722.00 4723.17 4729.65 4737.27 4748.30 4755.89 4779.12 4820.21 4825.48 4832.70 4841.37 4854.25 4958.28 5153.75 5264.24 5505.55 5840.08 0.644013 0.677926 0.678871 0.570262 -1956.648103 -1956.614190 -1956.613246 -1956.721854 3.642730D-04 MUNgauss RevisionA2.0 retrievium 01-Mar-2020 DUDE Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCN4CCOCC4)C[C@H](COCC#C)O)C C36207983 RHF 6-31G(d) (6D,10F) C1 511.237903 |X|Y|Z| 136.813217 91.257566 40.256957 79.508329 25 6 7 8 16 19 4 1 1 |36.858105| |12.608332|36.858105| |7.544967|13.727226|36.858105| |5.013392|7.902810|13.774228|36.858105| |4.392164|6.739896|7.868604|13.719185|36.858105| |4.992650|7.845876|6.891689|7.997833|13.651575|36.858105| |7.537989|13.734603|8.028415|6.952103|7.886392|13.701455|36.858105| |3.813327|5.053043|4.474706|5.047871|7.543355|12.744943|7.703324|36.858105| |3.422790|4.244602|3.744175|4.066032|5.449000|7.631607|5.974996|14.153661|36.858105| |2.678365|3.120238|2.826384|3.042612|3.833153|4.723845|4.013337|7.348011|10.980203|388.023441| |2.692587|3.185329|2.923934|3.207311|4.133203|5.040230|4.106924|8.120937|7.776354|78.883039|36.858105| |3.167015|3.938978|3.609364|4.056210|5.583983|7.240736|5.333441|13.146051|8.297681|52.779532|13.960113|36.858105| |3.006684|3.679879|3.486149|3.928429|5.107492|5.848951|4.619873|7.265685|5.134316|34.329404|7.864677|13.069466|36.858105| |3.223344|4.005606|3.910785|4.450458|5.587070|5.937028|4.802446|6.091025|4.327147|27.306788|5.354524|7.955744|16.033306|73.516695| |2.494370|2.909236|2.773707|3.055769|3.736473|4.114609|3.487940|5.039400|4.119194|31.217187|7.259231|8.026717|13.489503|15.092013|53.358707| |2.360654|2.714977|2.626022|2.875550|3.396664|3.612950|3.147281|4.130400|3.428083|25.373620|5.256847|5.824328|9.353012|14.102823|25.939408|0.500000| |2.259335|2.585088|2.443139|2.660492|3.222320|3.589541|3.098355|4.590395|4.113759|35.244177|8.516257|6.998028|7.798760|9.697189|19.234649|0.257603|36.858105| 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|1.603020|1.737712|1.655573|1.746980|1.977770|2.127341|1.966030|2.486120|2.452286|21.172946|3.532824|3.007555|3.090382|4.755951|5.309402|0.104887|5.077812|6.441526|7.674067|17.277752|0.259107|7.613896|5.900610|5.839327|3.376789|2.772339|4.823314|3.087066|4.030511|36.858105| |1.637909|1.751863|1.644823|1.708567|1.920833|2.102551|1.984867|2.449560|2.437241|21.000664|3.414323|2.916632|2.951906|4.569168|4.908453|0.096190|4.545053|5.990092|5.997508|10.458359|0.214767|5.044201|4.484362|4.628554|2.877902|2.388451|4.132530|2.551229|3.190552|12.506054|36.858105| |1.731610|1.847897|1.725583|1.783246|2.001419|2.205069|2.096355|2.554506|2.494057|21.010330|3.516460|3.075243|3.191569|4.955887|5.386793|0.107118|4.862996|6.104445|6.401844|9.215859|0.187331|4.455863|3.824719|4.087835|2.582986|2.182809|3.751994|2.302440|2.797270|8.803073|17.526871|0.500000| |1.467609|1.549623|1.460743|1.506457|1.667233|1.806511|1.727521|2.055717|2.056202|17.239568|2.691038|2.369312|2.399494|3.822124|3.843708|0.076918|3.344544|4.439484|4.155866|6.757442|0.135912|3.857476|3.633043|3.993044|2.534054|2.158608|3.827616|2.361144|2.896861|7.533170|12.520480|0.249568|36.858105| |1.485568|1.550950|1.448382|1.477253|1.625176|1.777460|1.726206|2.011137|2.024829|16.826739|2.569262|2.280357|2.283425|3.661285|3.562336|0.070846|3.030622|4.102533|3.532836|5.431739|0.115136|3.174602|3.069777|3.442603|2.263141|1.943182|3.415861|2.061010|2.464069|5.167138|8.253737|0.208372|13.707008|73.516695| |1.354113|1.401654|1.314197|1.334621|1.452914|1.576200|1.541564|1.756219|1.772457|14.454881|2.163806|1.953652|1.956559|3.187939|2.992280|0.060022|2.478669|3.359654|2.826057|4.264287|0.089082|2.638847|2.598677|3.020225|2.016004|1.764407|3.139441|1.884686|2.209358|3.909109|5.246781|0.136281|8.065607|24.061550|36.858105| |1.362700|1.395625|1.299690|1.307744|1.415287|1.544074|1.529673|1.708431|1.732501|13.967069|2.055194|1.872118|1.859428|3.049020|2.785864|0.055639|2.270670|3.112218|2.495655|3.668625|0.078098|2.298260|2.282839|2.685356|1.830694|1.612667|2.846187|1.683692|1.941092|3.162386|4.117270|0.112500|5.257884|14.464069|13.005451|36.858105| |1.356043|1.376526|1.276785|1.275727|1.372888|1.501341|1.501991|1.648882|1.677312|13.363888|1.940897|1.783678|1.762290|2.908347|2.598687|0.051806|2.090038|2.882399|2.243452|3.244643|0.069528|2.059655|2.055440|2.445275|1.689855|1.498687|2.633582|1.543721|1.757955|2.700652|3.401342|0.094795|4.020083|9.974137|7.189742|16.075588|36.858105| |1.709428|1.830813|1.703680|1.766764|2.001977|2.223409|2.099150|2.645521|2.712156|24.463131|3.816150|3.118798|3.003652|4.571767|4.828011|0.090850|4.580882|6.683922|5.333161|9.740079|0.250911|4.986998|4.913028|4.890425|3.144436|2.534108|4.295721|2.581510|3.241249|8.221650|13.639796|0.258867|7.920130|12.529526|4.753203|4.021566|3.425301|73.516695| |3.257409|4.391986|5.015446|7.580648|12.604888|7.480957|4.990403|6.371210|4.951986|27.145112|4.220079|5.462943|5.129885|9.602489|5.313781|0.098651|3.392117|4.690021|2.728553|3.332561|0.069462|2.488707|2.313429|3.048188|2.221209|2.091688|3.287369|1.857443|1.938797|2.062406|1.954748|0.055960|1.690977|2.887092|1.450145|1.396935|1.344839|3.603445|36.858105| |17.564361|8.838453|6.925235|4.655199|3.934220|4.219658|5.726873|3.305050|3.054694|17.247361|2.398626|2.764964|2.622137|4.967366|3.014396|0.058509|2.028128|2.826669|1.762945|2.216526|0.047208|1.555446|1.495538|1.922368|1.411435|1.322582|2.163293|1.215821|1.280021|1.478946|1.505810|0.043927|1.359727|2.444865|1.261941|1.270892|1.266937|2.793129|3.012368|0.500000| |17.575714|8.832494|5.588747|4.179416|3.935022|4.719801|7.183218|3.837523|3.564940|19.969514|2.765188|3.185513|2.955289|5.470178|3.378614|0.064700|2.285855|3.217895|1.963828|2.463151|0.053070|1.698846|1.632535|2.066314|1.511385|1.396192|2.279981|1.284346|1.368247|1.639380|1.693058|0.049741|1.517212|2.752357|1.410038|1.428410|1.427914|3.168928|3.008046|0.301822|0.500000| |17.537516|8.846126|6.460259|4.514738|3.947486|4.361685|6.065985|3.437365|3.039030|17.515614|2.543127|2.989424|2.946831|5.737920|3.363641|0.065977|2.214523|3.024411|1.921602|2.371414|0.050300|1.638592|1.551504|1.974665|1.429691|1.331419|2.187994|1.241776|1.317099|1.584922|1.622905|0.047983|1.459281|2.628736|1.350414|1.359894|1.354060|2.980322|3.019806|0.302282|0.301993|0.500000| |6.987030|8.913845|17.700191|8.951753|5.626471|4.960563|5.678354|3.571804|3.103298|17.354663|2.511179|3.006898|2.957898|5.888828|3.311448|0.064936|2.162099|2.954916|1.864302|2.309147|0.048456|1.648629|1.562840|2.034389|1.486100|1.407927|2.294417|1.294656|1.350793|1.520921|1.512558|0.044019|1.356399|2.395137|1.231197|1.220480|1.202276|2.771148|4.104755|0.202672|0.141026|0.177224|0.500000| |4.097052|5.642151|8.962386|17.709727|8.940937|5.670560|4.992492|4.097267|3.435206|19.162898|2.841485|3.481160|3.458680|6.973287|3.793163|0.074046|2.441169|3.318295|2.075148|2.555451|0.053120|1.868293|1.756531|2.317911|1.693028|1.617672|2.608400|1.472288|1.523652|1.650666|1.602084|0.046248|1.422189|2.468598|1.260945|1.232105|1.200565|2.925999|7.069145|0.110439|0.096309|0.105944|0.217447|0.500000| |6.996579|8.937248|5.683367|4.991916|5.633349|8.948949|17.703085|7.225846|6.166775|30.333542|4.251326|5.261395|4.433750|7.818447|4.713058|0.086091|3.154694|4.564193|2.554982|3.157796|0.069154|2.157303|2.055536|2.557644|1.863058|1.687744|2.715398|1.532886|1.654936|2.031571|2.086488|0.061467|1.812808|3.255721|1.630220|1.630069|1.607725|3.965572|4.076414|0.146532|0.219369|0.159887|0.124480|0.108175|0.500000| |3.534520|4.315304|3.786879|4.009983|5.087467|6.750671|5.830512|8.814320|17.791408|55.359405|5.455879|5.714708|4.046572|6.403812|4.561683|0.080133|3.345599|5.379876|2.670122|3.498594|0.078636|2.506972|2.509441|3.158753|2.405382|2.147942|3.331876|1.831165|1.972258|2.181099|2.180779|0.061645|1.876527|3.310590|1.651167|1.627146|1.587298|4.310214|4.503884|0.089489|0.103377|0.084938|0.087943|0.094469|0.167171|0.500000| |1.845994|2.062655|2.001767|2.171689|2.510530|2.641684|2.348801|3.083991|2.836725|23.172379|4.404177|4.019686|4.675311|7.052055|9.612855|0.207030|8.816120|8.161093|17.606015|12.363546|0.183452|7.416567|4.690956|5.298395|3.124680|2.695818|4.525108|2.884375|3.443690|6.533627|4.881465|0.141583|3.688836|5.534271|2.572804|2.267931|2.045389|7.558835|2.701468|0.046868|0.051361|0.050998|0.050530|0.057144|0.065480|0.068064|0.500000| |1.935490|2.126934|2.010828|2.126163|2.439363|2.663972|2.443796|3.131221|2.904709|24.022963|4.552834|4.076011|4.629766|6.910036|9.303587|0.191182|8.955245|8.579473|17.618275|12.323033|0.211370|5.625059|4.139944|4.489117|2.769112|2.358649|3.971068|2.463991|2.952044|7.528277|6.818718|0.233724|4.627464|7.065055|3.111031|2.739072|2.447039|9.882891|2.506993|0.048671|0.054663|0.053732|0.050696|0.055070|0.070062|0.069598|0.301751|0.500000| |1.783832|2.014121|1.966798|2.168685|2.555732|2.670492|2.315423|3.237805|3.160647|27.809433|4.947166|4.080164|4.089883|6.021214|7.011948|0.128903|6.973747|9.246645|7.622153|12.310898|0.209724|17.685813|8.927980|9.695195|5.118324|4.063647|6.409047|4.090607|5.179296|5.632356|4.170730|0.108183|3.257151|4.950106|2.346592|2.088173|1.898211|7.450658|2.858149|0.045829|0.049816|0.048210|0.049438|0.057299|0.064249|0.075895|0.216104|0.148782|0.500000| |1.562701|1.727552|1.687003|1.828013|2.089824|2.173291|1.944839|2.534629|2.486847|21.205748|3.545131|3.060044|3.151237|4.871500|5.339950|0.105478|4.938171|6.272884|6.581141|12.365835|0.182624|17.629402|8.710693|9.705425|4.655554|3.836504|6.646565|4.629631|6.449728|7.418974|4.706416|0.115953|3.809745|5.449754|2.596068|2.233100|1.991834|7.709771|2.283652|0.040388|0.043734|0.042624|0.043022|0.048705|0.054347|0.061433|0.200919|0.143393|0.301614|0.500000| |1.520449|1.660524|1.595222|1.702250|1.941083|2.066946|1.881540|2.449958|2.547521|23.113747|3.468803|2.836347|2.701348|4.149319|4.264596|0.080547|3.985763|5.935595|4.557672|9.477035|0.197306|8.735332|17.467635|12.254261|6.392380|4.428560|7.532378|4.723738|7.449690|6.486183|5.018932|0.112743|4.187278|6.151279|2.921533|2.518339|2.237936|9.949046|2.070382|0.039470|0.043228|0.041009|0.040687|0.044946|0.053622|0.064009|0.116227|0.109933|0.173602|0.203112|0.500000| |1.715707|1.906102|1.826978|1.973277|2.304359|2.476803|2.202192|3.051336|3.246788|31.648347|4.676621|3.579876|3.240763|4.825090|5.021109|0.090599|4.858799|8.103927|4.892508|9.355749|0.220793|8.958813|17.588254|12.499924|7.725478|4.848657|7.284062|4.240963|5.753273|5.127611|4.276258|0.103745|3.414658|5.333726|2.528937|2.269456|2.066310|8.941419|2.488728|0.044362|0.048790|0.045790|0.046041|0.051690|0.062601|0.079889|0.121089|0.112282|0.221087|0.173620|0.303236|0.500000| |1.438136|1.576168|1.533930|1.650151|1.872897|1.955208|1.768275|2.284426|2.460109|21.791958|2.953153|2.489445|2.288519|3.594255|3.362362|0.063301|2.910590|4.463236|2.957220|4.966126|0.105900|4.553650|6.964327|12.238401|17.450655|8.881687|12.525713|5.849861|7.007964|3.285124|2.881721|0.070969|2.586188|4.140899|2.090143|1.901279|1.755153|5.715438|2.032437|0.037883|0.040736|0.038303|0.039296|0.044027|0.049767|0.063970|0.078826|0.072643|0.118798|0.113956|0.181860|0.195962|0.500000| |1.611969|1.799735|1.760550|1.926764|2.233908|2.321392|2.044664|2.773820|3.004329|27.163311|3.675342|3.044392|2.733903|4.225162|3.968307|0.073140|3.447590|5.449259|3.316101|5.368605|0.115244|5.112407|7.203721|12.445185|17.570241|8.894976|10.179275|5.051676|5.710552|3.274331|2.844973|0.072038|2.458242|3.960091|1.969789|1.808862|1.680748|5.624551|2.485335|0.042313|0.045427|0.042667|0.044652|0.051292|0.056960|0.076858|0.088521|0.078944|0.148393|0.120763|0.156592|0.233784|0.300331|0.500000| |1.359342|1.496874|1.485618|1.616389|1.816434|1.840117|1.652712|2.089502|2.226020|18.451451|2.497039|2.213120|2.055655|3.309219|2.934423|0.056005|2.413378|3.585200|2.393069|3.712489|0.076686|3.356981|4.174670|7.681690|8.857162|17.625112|16.911570|5.894367|5.052551|2.457237|2.174473|0.055554|1.983941|3.224776|1.660393|1.533796|1.435815|4.142432|2.016189|0.036190|0.038082|0.036126|0.038327|0.043839|0.045677|0.059022|0.066101|0.059187|0.094753|0.088508|0.104701|0.115987|0.217454|0.210469|0.500000| |1.425028|1.586074|1.587470|1.750534|1.984497|1.985291|1.755127|2.259272|2.345918|19.277092|2.740372|2.448097|2.317406|3.722318|3.353736|0.064281|2.752208|3.997602|2.741327|4.195589|0.084058|4.019459|4.713194|9.524338|8.872671|17.509852|16.549047|7.310790|5.907679|2.697601|2.307887|0.059394|2.068306|3.310332|1.686382|1.544655|1.438371|4.295523|2.256452|0.037766|0.039623|0.038025|0.040812|0.047692|0.048043|0.061038|0.077739|0.066265|0.118658|0.107647|0.110543|0.125361|0.173932|0.217429|0.300318|0.500000| |1.195435|1.300362|1.290873|1.390670|1.538985|1.557147|1.419690|1.737856|1.771483|14.429861|2.112992|1.907798|1.879069|3.066023|2.814139|0.055815|2.315544|3.210746|2.515899|3.977781|0.076427|3.676281|4.176239|7.678719|5.045484|5.891368|16.922228|17.620311|8.853163|2.861668|2.397178|0.060154|2.275253|3.534209|1.843930|1.643762|1.506386|4.258703|1.686583|0.031665|0.033379|0.032369|0.033589|0.037875|0.039360|0.046182|0.072570|0.063032|0.095552|0.111774|0.113715|0.098336|0.131242|0.110549|0.132315|0.148053|0.500000| |1.303605|1.435407|1.434734|1.566284|1.751365|1.755191|1.574539|1.969841|1.990284|16.178327|2.413306|2.184172|2.159426|3.507026|3.242978|0.064093|2.662532|3.670292|2.850200|4.419556|0.083817|4.341994|4.711500|9.512170|5.894809|7.303958|16.552715|17.505866|8.869030|2.998718|2.460309|0.062646|2.252654|3.501456|1.795185|1.609442|1.479736|4.371241|1.960141|0.034448|0.036206|0.035232|0.037144|0.042772|0.043279|0.051403|0.083920|0.069429|0.119546|0.131783|0.116623|0.110908|0.134326|0.132426|0.148039|0.218830|0.300290|0.500000| |1.347889|1.474054|1.449167|1.562366|1.754623|1.802348|1.633038|2.056123|2.073312|17.407639|2.667690|2.345776|2.339207|3.730066|3.668039|0.072559|3.162874|4.310027|3.674609|6.307599|0.114069|6.568242|7.186772|12.387846|5.694957|5.050100|10.193965|8.904279|17.541295|4.548521|3.432113|0.083437|3.124351|4.607142|2.314752|2.005134|1.801581|5.931648|1.916877|0.035298|0.037751|0.036613|0.037364|0.042079|0.045562|0.052797|0.106806|0.089106|0.151011|0.227004|0.194360|0.143298|0.142295|0.127358|0.110546|0.132354|0.211303|0.217213|0.500000| |1.306908|1.420175|1.387385|1.484795|1.662848|1.722982|1.574415|1.971721|2.039833|17.396221|2.535753|2.199476|2.127894|3.388686|3.245201|0.063130|2.800235|3.999166|3.106673|5.383396|0.105497|5.084449|6.980796|12.271428|7.025847|5.868937|12.562063|8.879404|17.439148|3.933245|3.222643|0.077182|3.010699|4.566370|2.326474|2.035838|1.837811|5.914933|1.796317|0.034357|0.036852|0.035297|0.035811|0.039856|0.044254|0.052615|0.085809|0.077210|0.119880|0.146956|0.217096|0.149648|0.205764|0.142743|0.131602|0.134680|0.217245|0.173868|0.300686|0.500000| |1.501383|1.623662|1.553820|1.641214|1.850298|1.975769|1.826598|2.297840|2.303652|19.972011|3.193456|2.715208|2.732695|4.248218|4.523012|0.088914|4.205854|5.615036|5.673579|12.423280|0.211202|7.598824|6.794866|6.650560|3.743377|3.032967|5.386448|3.499940|4.807615|17.664347|8.901481|0.173791|7.034633|8.584196|3.835096|3.074063|2.621661|12.930062|1.941076|0.038736|0.042652|0.041074|0.039800|0.043293|0.052291|0.057588|0.143606|0.148089|0.149004|0.216039|0.236132|0.152550|0.103105|0.097332|0.074005|0.080249|0.090540|0.091766|0.152797|0.134805|0.500000| |1.555268|1.683752|1.615883|1.706838|1.917535|2.038211|1.886299|2.338725|2.267055|18.935976|3.191076|2.822055|2.999194|4.712550|5.205994|0.107401|4.705196|5.628855|7.389576|12.303728|0.182448|6.502480|4.834686|5.216838|3.026626|2.577389|4.549596|2.958050|3.738230|17.615730|8.721236|0.212491|6.603828|8.212210|3.659705|2.962179|2.540844|10.317539|2.005865|0.039903|0.043905|0.043001|0.041419|0.045060|0.053730|0.056233|0.198937|0.212462|0.142972|0.200142|0.141076|0.116299|0.080737|0.081164|0.063432|0.070724|0.077283|0.081379|0.121334|0.099408|0.301098|0.500000| |1.391962|1.471411|1.393445|1.441592|1.594426|1.717336|1.636072|1.954010|1.975850|16.671210|2.545924|2.228501|2.228494|3.554281|3.524665|0.070102|3.069850|4.165251|3.741625|6.360319|0.128353|3.882028|3.847857|4.255753|2.697182|2.288281|4.112475|2.543324|3.166704|6.936444|8.842642|0.174612|17.506246|16.532205|7.223270|4.804391|3.735659|12.619812|1.628385|0.036014|0.039929|0.038282|0.036006|0.037948|0.047505|0.050415|0.094200|0.109781|0.089527|0.107650|0.129187|0.098537|0.077767|0.071368|0.058333|0.060076|0.068610|0.066230|0.094533|0.094105|0.213575|0.164792|0.500000| |1.417125|1.494146|1.416537|1.461339|1.607529|1.726627|1.652457|1.940244|1.916370|15.732731|2.484075|2.235130|2.310940|3.732048|3.718639|0.076131|3.151803|4.055813|3.986742|6.122415|0.117306|3.590720|3.272347|3.710571|2.341431|2.035080|3.642648|2.271405|2.741906|6.750013|8.805956|0.216038|17.502433|16.480318|7.118244|4.748816|3.699394|10.124259|1.633789|0.036515|0.040481|0.039364|0.036680|0.038494|0.047864|0.048668|0.102173|0.125643|0.085422|0.102263|0.101948|0.084271|0.065589|0.062869|0.051852|0.054669|0.061389|0.060824|0.083742|0.078117|0.171263|0.192062|0.299417|0.500000| |1.291614|1.339933|1.261522|1.285399|1.399717|1.511394|1.471791|1.685799|1.714504|14.060261|2.077048|1.865113|1.853115|3.016670|2.821287|0.056359|2.348009|3.219174|2.668341|4.128929|0.086247|2.628469|2.655921|3.110293|2.084133|1.824299|3.275175|1.963208|2.308312|3.785657|4.798224|0.118305|7.269801|16.515716|17.543452|9.079158|5.989533|8.042575|1.405346|0.033577|0.037306|0.035641|0.032862|0.033835|0.043075|0.044554|0.068074|0.079511|0.064425|0.072180|0.084551|0.071260|0.060741|0.055977|0.047751|0.048003|0.053706|0.051393|0.066839|0.068692|0.108222|0.097363|0.218143|0.174422|0.500000| |1.308697|1.353387|1.274952|1.295224|1.403674|1.512577|1.479340|1.670739|1.669590|13.434046|2.033630|1.860766|1.890493|3.108827|2.901145|0.059000|2.369264|3.150357|2.732249|4.030141|0.082079|2.514801|2.428316|2.862164|1.898010|1.681127|3.010339|1.821296|2.116263|3.719169|4.747651|0.127845|7.200041|16.525793|17.547959|9.077200|5.986193|7.223041|1.403480|0.033911|0.037678|0.036428|0.033284|0.034112|0.043224|0.043208|0.070372|0.084278|0.062441|0.069975|0.074904|0.064925|0.054169|0.051363|0.043837|0.044915|0.049805|0.048506|0.062313|0.061384|0.100383|0.101153|0.175153|0.211846|0.301052|0.500000| |1.342124|1.351883|1.250809|1.242652|1.330242|1.455745|1.467944|1.587290|1.618058|12.748973|1.832845|1.698098|1.671730|2.775421|2.434009|0.048486|1.936293|2.680270|2.044276|2.923511|0.062785|1.877347|1.878832|2.257014|1.575145|1.405749|2.463447|1.434557|1.617731|2.378257|2.917364|0.082038|3.308237|7.708416|5.138353|8.493438|18.007676|5.295822|1.295691|0.034912|0.039388|0.037247|0.032811|0.032473|0.043763|0.042828|0.051995|0.061554|0.048566|0.050329|0.056265|0.052820|0.045418|0.043714|0.037618|0.037548|0.038886|0.038287|0.045810|0.046847|0.064154|0.062428|0.086341|0.085622|0.126169|0.126118|0.500000| |1.698409|1.798570|1.661932|1.705774|1.916818|2.140833|2.053902|2.519706|2.600530|23.046107|3.479569|2.903491|2.780223|4.290483|4.342456|0.082241|3.940733|5.759660|4.372433|7.233822|0.177595|3.997387|4.016270|4.211093|2.794927|2.295682|3.905181|2.316413|2.834966|6.017993|9.854106|0.224845|7.601373|14.829942|5.418960|4.750617|4.024252|35.567104|1.915555|0.043383|0.049541|0.046313|0.042369|0.044052|0.061212|0.065353|0.099757|0.130159|0.096862|0.099073|0.125701|0.115873|0.080309|0.078397|0.059485|0.060731|0.060321|0.061246|0.080344|0.081648|0.153470|0.130640|0.185675|0.150651|0.139732|0.122389|0.095908|0.500000| |3.014359|3.938315|4.365757|6.073579|8.848187|6.422268|4.490045|5.985248|4.523642|26.567157|4.464000|5.925850|6.224178|12.117619|6.319363|0.118436|3.847084|5.105179|3.059170|3.634710|0.074651|2.711730|2.451926|3.214703|2.292607|2.150757|3.398149|1.947422|2.044064|2.225780|2.084757|0.060014|1.789330|3.029017|1.513485|1.447739|1.386199|3.793364|17.548885|0.076566|0.077838|0.079766|0.101754|0.160592|0.105366|0.109986|0.085444|0.077389|0.087818|0.069363|0.060560|0.072474|0.057817|0.070742|0.056812|0.064816|0.049039|0.057525|0.056727|0.052182|0.057668|0.060655|0.047643|0.048272|0.040627|0.040845|0.036933|0.055564|0.500000| |3.001855|3.922655|4.233708|5.753790|8.807366|6.814471|4.608947|6.826755|5.751357|31.409596|4.661218|5.720229|4.891231|8.402955|5.249477|0.095071|3.510658|5.053641|2.801605|3.499695|0.073724|2.656451|2.513472|3.329051|2.465893|2.310872|3.569103|1.995146|2.082536|2.141148|2.019670|0.057188|1.739872|2.963219|1.484870|1.427535|1.371910|3.773810|17.559090|0.077657|0.079087|0.076425|0.098095|0.148165|0.109194|0.144667|0.076328|0.070483|0.085471|0.066817|0.061855|0.076272|0.062293|0.078135|0.062132|0.069464|0.049888|0.058359|0.056542|0.053495|0.056406|0.057194|0.046838|0.046349|0.040166|0.039705|0.036659|0.055508|0.301330|0.500000| 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