Version2.0 2020-02-28T15:23:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccc(cc2)OC)c3cccnc3 C09043908 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccc(cc2)OC)c3cccnc3 C01[X(C27H31N3O5S1)] 195 C1 606 COc1ccc(cc1)CCNC(=O)C(=O)NC[C@@H](S(=O)(=O)c1ccc(cc1)C(C)C)c1cccnc1 COc1ccc(cc1)CCNC(=O)C(=O)NC[C@@H](S(=O)(=O)c1ccc(cc1)C(C)C)c1cccnc1 COc1ccc(CCNC(=O)C(=O)NC[C@H](c2cccnc2)[S](=O)(=O)c3ccc(cc3)C(C)C)cc1 InChIKey=ABPKUXIFYXTDNE-RUZDIDTESA-N InChI=1S/C27H31N3O5S/c1-19(2)21-8-12-24(13-9-21)36(33,34)25(22-5-4-15-28-17-22)18-30-27(32)26(31)29-16-14-20-6-10-23(35-3)11-7-20/h4-13,15,17,19,25H,14,16,18H2,1-3H3,(H,29,31)(H,30,32)/t25-/m1/s1 InChI=1/C27H31N3O5S/c1-19(2)21-8-12-24(13-9-21)36(33,34)25(22-5-4-15-28-17-22)18-30-27(32)26(31)29-16-14-20-6-10-23(35-3)11-7-20/h4-13,15,17,19,25H,14,16,18H2,1-3H3,(H,29,31)(H,30,32)/t25-/m1/s1/f/h29-30H CC(C)c1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccc(cc2)OC)c3cccnc3 C01[X(C27H31N3O5S1)] 195 C01 606 COc1ccc(cc1)CCNC(=O)C(=O)NC[C@@H](S(=O)(=O)c1ccc(cc1)C(C)C)c1cccnc1 COc1ccc(cc1)CCNC(=O)C(=O)NC[C@@H](S(c1ccc(cc1)C(C)C)(O)O)c1cccnc1 COc1ccc(CCNC(=O)C(=O)NC[C@H](c2cccnc2)[S](O)(O)c3ccc(cc3)C(C)C)cc1 InChIKey=UUVXILCNOBQIDZ-RUZDIDTESA-N InChI=1S/C27H33N3O5S/c1-19(2)21-8-12-24(13-9-21)36(33,34)25(22-5-4-15-28-17-22)18-30-27(32)26(31)29-16-14-20-6-10-23(35-3)11-7-20/h4-13,15,17,19,25,33-34H,14,16,18H2,1-3H3,(H,29,31)(H,30,32)/t25-/m1/s1 InChI=1/C27H33N3O5S/c1-19(2)21-8-12-24(13-9-21)36(33,34)25(22-5-4-15-28-17-22)18-30-27(32)26(31)29-16-14-20-6-10-23(35-3)11-7-20/h4-13,15,17,19,25,33-34H,14,16,18H2,1-3H3,(H,29,31)(H,30,32)/t25-/m1/s1/f/h29-30H 3788.4800446740 -1975.6379261 1-A 37335.0753 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3258.1572 3263.0889 3265.2239 3268.5111 3272.3931 3273.8071 3276.4440 3278.0007 3309.8476 3325.6841 3343.5473 3350.1308 3355.8464 3366.1027 3370.6271 3373.2186 3379.4281 3391.3003 3398.7296 3402.9661 3405.2295 3405.4488 3414.8058 3838.8639 3873.3032 5.4588 4.6272 5.1046 5.5837 3.5378 4.2949 4.8097 5.9318 4.4566 5.1282 4.1551 4.0283 5.3357 5.4328 4.9890 6.0279 4.6184 5.5873 5.2684 5.7330 3.9898 3.8804 3.2518 2.5592 1.6051 1.6394 2.2751 2.8200 1.8260 2.1111 3.6521 2.7918 6.2636 3.2525 3.3452 2.7993 4.3728 5.7280 4.7849 5.7311 2.9772 3.2986 5.1494 3.0457 4.6376 4.4438 3.4824 5.4998 7.3396 3.9583 3.5596 4.0811 3.5778 3.4619 3.1875 1.3659 7.5255 6.9539 6.6917 4.1706 5.3717 1.1795 2.4694 2.2376 3.4802 1.6352 3.3743 4.1927 4.8276 2.5547 6.8223 3.9454 1.8623 1.2793 4.4858 1.7923 1.5317 1.2962 2.5670 2.9821 1.1464 1.5622 1.6112 1.4252 2.2376 1.6521 1.3549 1.3567 2.7655 3.3334 2.1084 2.1265 2.8887 3.5398 1.4691 2.0196 2.6277 1.9060 2.4208 5.3583 3.9351 3.9444 1.7796 1.8180 3.4096 2.1390 4.5649 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4694.86 4697.93 4702.66 4708.24 4710.28 4714.07 4716.31 4762.13 4784.92 4810.62 4820.09 4828.31 4843.07 4849.58 4853.31 4862.24 4879.32 4890.01 4896.11 4899.37 4899.68 4913.14 5523.27 5572.82 0.589603 0.622658 0.623602 0.515939 -1975.048324 -1975.015268 -1975.014324 -1975.121988 3.611068D-04 MUNgauss RevisionA2.0 retrievium 28-Feb-2020 DUDE CC(C)c1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccc(cc2)OC)c3cccnc3 C09043908 RHF 6-31G(d) (6D,10F) C1 509.198443 |X|Y|Z| 67.876913 36.226725 177.243996 75.818333 27 6 7 16 23 3 1 |36.858105| |12.410116|36.858105| |7.517086|12.410830|36.858105| |7.530038|12.519852|7.527049|36.858105| |5.325020|7.538596|5.307308|13.696814|36.858105| |4.016033|5.001385|4.004370|7.879396|13.763295|36.858105| |3.752051|4.426599|3.748096|6.847621|7.972666|13.751140|36.858105| |4.315448|4.991527|4.313292|7.880759|6.876752|7.903972|13.721783|36.858105| |6.077218|7.492603|6.081535|13.661111|7.962966|6.873806|7.970736|13.794942|36.858105| |2.805740|3.139089|2.802634|4.189462|4.745434|6.984605|10.792322|6.963208|4.741182|388.023441| |2.657341|2.854135|2.588678|3.669232|3.831483|4.955487|7.299432|6.425153|4.398755|94.181469|73.516695| |2.589978|2.862800|2.516498|3.678833|4.408799|6.445264|7.314818|4.963491|3.840983|93.956679|13.619558|73.516695| |2.447707|2.803066|2.644949|3.568399|3.969597|5.287463|6.671281|5.196396|3.931903|74.786626|12.838809|12.997615|36.858105| |2.499423|2.933259|2.765730|3.731856|4.344012|5.857927|6.518623|4.880388|3.900721|58.010235|9.694278|12.180920|17.597101|0.500000| |2.060670|2.295916|2.177887|2.792748|3.080622|3.891144|4.527130|3.754630|3.012830|49.622121|10.472615|11.284891|12.301485|0.246739|36.858105| |1.959068|2.178358|2.042117|2.612856|2.971708|3.747159|4.022590|3.255258|2.710161|40.949697|8.265699|11.628042|7.628568|0.206032|13.217464|53.358707| |1.784244|1.986838|1.888836|2.324109|2.628854|3.177379|3.275542|2.742028|2.368011|29.799492|6.276458|8.235417|5.485276|0.161421|7.836340|19.455228|36.858105| |1.697567|1.894866|1.834794|2.189168|2.429855|2.859521|2.964601|2.561199|2.240311|25.849139|5.624768|6.689689|4.967968|0.145751|6.740405|11.455932|15.817784|73.516695| |1.688845|1.864895|1.756188|2.147154|2.454816|2.912530|2.883126|2.420722|2.140569|24.983116|5.317773|7.345218|4.056227|0.121437|5.043490|10.808825|12.376937|14.170250|36.858105| |1.738405|1.905228|1.766122|2.200222|2.544670|3.045135|2.974820|2.465459|2.179078|25.860934|5.473124|8.126079|3.869516|0.114517|4.617133|9.644964|7.965124|9.793451|15.847800|73.516695| |1.545815|1.703902|1.624308|1.925063|2.173329|2.500073|2.455038|2.115426|1.908165|20.361397|4.446638|5.737326|3.315614|0.099503|3.953505|7.285264|7.956806|12.649736|14.304958|14.984401|53.358707| |1.442348|1.576361|1.499034|1.754755|1.976092|2.228312|2.156528|1.879293|1.722220|17.383348|3.852229|4.925951|2.700546|0.080492|3.086463|5.364220|5.033673|8.214747|7.798790|11.937644|17.877836|36.858105| |1.331345|1.436237|1.365661|1.590788|1.767793|1.982694|1.948014|1.720259|1.575647|15.824835|3.604740|4.463492|2.404914|0.069573|2.787077|4.706266|4.180057|6.881148|5.850856|9.808054|10.424638|12.418013|36.858105| |1.245176|1.334807|1.269005|1.460771|1.616871|1.784595|1.737359|1.549180|1.436937|13.786911|3.164915|3.868949|2.050162|0.059341|2.302900|3.754143|3.177682|5.308362|4.139397|7.359690|6.785109|7.540340|12.592373|36.858105| |1.158843|1.240926|1.189206|1.346231|1.477476|1.611691|1.570897|1.416798|1.324140|12.302310|2.845206|3.386358|1.842438|0.053304|2.046824|3.245437|2.739319|4.738201|3.366983|5.805648|5.561960|5.645812|7.513592|13.657289|36.858105| |1.095340|1.167012|1.118464|1.255759|1.372898|1.482520|1.439111|1.306606|1.230721|11.123767|2.585993|3.050477|1.644240|0.047507|1.797549|2.803334|2.308797|3.991783|2.762490|4.868907|4.364792|4.162096|5.002460|7.874516|13.829114|36.858105| |1.100930|1.167732|1.112321|1.254228|1.374397|1.480969|1.430386|1.297084|1.224749|11.008118|2.559823|3.044572|1.599523|0.046172|1.734559|2.706160|2.185266|3.713256|2.623616|4.776994|3.994584|3.751926|4.411103|6.788743|7.935885|13.683027|36.858105| |1.173153|1.243799|1.175700|1.343901|1.482894|1.609843|1.550671|1.394677|1.310910|12.016348|2.781350|3.376132|1.727129|0.049853|1.879093|2.975151|2.384615|3.961692|2.937513|5.527244|4.373891|4.172938|4.995491|7.855427|6.895673|7.947522|13.755368|36.858105| |1.252101|1.334518|1.258916|1.456724|1.617365|1.779519|1.719800|1.531533|1.425849|13.549187|3.113024|3.850504|1.963034|0.056733|2.172131|3.525192|2.873909|4.698144|3.707631|7.041080|5.599623|5.700512|7.546870|13.765854|8.020254|6.917053|7.941807|13.703089|36.858105| |1.036000|1.094131|1.044290|1.166495|1.271320|1.357575|1.309973|1.196695|1.137313|9.977979|2.333089|2.738426|1.441546|0.041533|1.546790|2.377013|1.895530|3.242114|2.219014|4.039218|3.321224|2.986289|3.362583|4.586949|5.296541|8.195223|14.112991|7.862299|5.195442|73.516695| |1.027457|1.079672|1.026241|1.147426|1.250041|1.329653|1.279236|1.170390|1.115951|9.689902|2.270915|2.667291|1.381672|0.039736|1.471209|2.250936|1.767574|2.998911|2.055607|3.805029|3.002045|2.639340|2.915317|3.773848|3.990242|5.260930|8.017714|6.726453|4.513696|24.219919|36.858105| |2.462417|2.824705|2.776389|3.534903|3.660039|4.460324|5.730796|5.319526|4.088668|48.847748|10.955818|8.593776|12.588947|0.248397|7.445042|6.822164|4.141568|7.314249|3.188983|5.339326|3.761857|2.304383|2.082011|1.803524|1.651702|1.486642|1.440318|1.535400|1.720850|2.329298|1.255658|36.858105| |2.542793|3.003816|3.076166|3.684715|3.742150|4.285630|5.066486|4.944479|4.152980|35.935811|7.918342|6.936957|7.566941|0.205266|5.207612|5.505503|3.614315|6.613566|2.884164|4.789937|3.517350|2.183294|1.951153|1.709838|1.583904|1.433441|1.385294|1.465110|1.628395|2.251653|1.212668|13.734807|36.858105| |2.418041|2.806065|2.993973|3.286102|3.177054|3.433923|3.978501|4.209801|3.754733|27.519242|6.562976|5.508166|5.033721|0.133763|3.977912|4.356049|2.947417|5.493738|2.424023|4.037901|3.030526|1.917419|1.739132|1.541783|1.444502|1.316482|1.270554|1.333439|1.468283|2.079395|1.120779|7.961292|13.777223|36.858105| |2.252517|2.522619|2.659621|2.920678|2.784523|3.017668|3.583893|3.903041|3.427070|25.935112|6.667228|5.171838|4.503805|0.112387|3.794475|4.080427|2.733573|5.076654|2.257034|3.783057|2.820657|1.794890|1.657563|1.471665|1.380352|1.260107|1.217015|1.276502|1.403186|1.995456|1.076958|7.010995|8.032705|13.776447|36.858105| |2.195370|2.413871|2.462932|2.840283|2.743608|3.062599|3.768969|4.053646|3.382262|29.349168|8.058143|5.703721|5.045072|0.117107|4.378878|4.493287|2.919671|5.338678|2.380328|4.012382|2.928490|1.853067|1.728290|1.524627|1.420162|1.292224|1.250272|1.317965|1.455761|2.043686|1.103912|7.965871|6.899135|8.005653|14.420934|53.358707| |2.286518|2.535259|2.511050|3.081370|3.072903|3.600302|4.620753|4.683262|3.662407|39.770792|10.936591|7.255407|7.476482|0.154944|6.122105|5.723408|3.532636|6.304305|2.790512|4.710861|3.340512|2.078657|1.925954|1.678816|1.545819|1.397147|1.353981|1.438589|1.603861|2.198854|1.187244|13.671944|8.029457|7.044235|8.407938|19.663255|36.858105| |17.548772|8.796219|6.882275|5.492837|4.286667|3.344477|3.114008|3.485832|4.591132|17.265340|4.104770|4.039751|2.168779|0.061754|1.856511|2.419286|1.638291|2.787111|1.561489|2.850373|1.963504|1.355475|1.253753|1.179800|1.103395|1.047492|1.053596|1.118630|1.187379|1.769939|0.988907|2.188586|2.277716|2.194240|2.048944|2.700208|2.044656|0.500000| |17.563370|8.753648|5.469524|6.906073|5.434142|4.167808|3.824656|4.237471|5.586962|20.483909|4.841754|4.831669|2.442639|0.069131|2.074073|2.712380|1.805349|3.023581|1.724319|3.189678|2.137013|1.471042|1.361437|1.275850|1.182296|1.118795|1.129745|1.209541|1.290725|1.889442|1.057803|2.399738|2.425173|2.271938|2.131005|2.873643|2.229632|0.301189|0.500000| |17.552482|8.734270|6.793254|6.721098|4.674559|3.760896|3.731733|4.546861|6.502807|20.074903|4.893634|4.531536|2.456127|0.068422|2.067624|2.636972|1.755739|2.980572|1.647220|3.003119|2.050091|1.399721|1.299046|1.211636|1.128680|1.065383|1.068486|1.137056|1.214950|1.787067|0.995567|2.519616|2.586327|2.499401|2.368544|3.152658|2.385423|0.301869|0.301643|0.500000| |8.948242|17.541566|8.948822|9.020539|7.482575|4.848565|4.026951|4.206109|5.606891|20.962728|4.679200|4.943813|2.661775|0.078817|2.210773|2.912926|1.972506|3.335225|1.877646|3.423700|2.345737|1.606567|1.456359|1.360415|1.265019|1.192922|1.196887|1.275627|1.364922|1.996149|1.110030|2.622167|2.788102|2.576808|2.302126|3.002751|2.332079|0.215851|0.213191|0.173679|0.500000| |5.468757|8.751746|17.557910|6.898587|5.400531|4.144446|3.816175|4.232106|5.589509|20.437685|4.622963|4.582401|2.808396|0.083203|2.291356|2.925416|2.003244|3.482811|1.852459|3.283582|2.339767|1.578509|1.425909|1.320523|1.238985|1.161855|1.150964|1.214263|1.303476|1.916790|1.055514|2.965787|3.399520|3.290637|2.825731|3.494465|2.621609|0.140701|0.122404|0.139022|0.213226|0.500000| |6.883326|8.796044|17.549601|5.491528|4.276929|3.337472|3.111686|3.484811|4.593318|17.250729|4.023258|3.949743|2.303769|0.066837|1.941665|2.503511|1.718882|2.977684|1.614704|2.889133|2.050243|1.402591|1.282511|1.200153|1.129714|1.067811|1.063616|1.120807|1.193189|1.783053|0.987768|2.402514|2.641575|2.602364|2.344416|2.962835|2.202170|0.206879|0.140707|0.168887|0.215807|0.301255|0.500000| |6.791409|8.733487|17.551730|6.719340|4.662420|3.751248|3.728050|4.544722|6.508980|20.053180|4.753350|4.402233|2.665138|0.075815|2.191608|2.751137|1.859711|3.225986|1.712348|3.050350|2.153028|1.453676|1.332291|1.234539|1.157922|1.087568|1.079363|1.139510|1.221479|1.801139|0.994443|2.876581|3.186736|3.192258|2.884191|3.612274|2.656638|0.168794|0.139030|0.200512|0.173673|0.301548|0.301920|0.500000| |5.027305|7.009332|4.996933|8.909709|17.717445|8.960794|5.669015|4.954048|5.652545|27.912027|5.725894|6.876134|3.428219|0.106008|2.773028|3.749099|2.495992|4.107864|2.388325|4.421897|2.912654|1.973555|1.756556|1.621662|1.484832|1.386628|1.393400|1.503160|1.630605|2.297662|1.274383|3.140774|3.247501|2.802942|2.460386|3.278756|2.665319|0.118344|0.144882|0.117158|0.231887|0.143269|0.117808|0.116643|0.500000| |3.394812|4.082330|3.376870|5.618646|8.900832|17.743421|8.915452|5.633526|4.954831|47.401357|8.143334|13.122833|5.260421|0.170223|4.065501|5.671994|3.535263|5.503712|3.322047|6.306534|3.814343|2.495828|2.189998|1.962683|1.754354|1.607057|1.609887|1.764208|1.965037|2.607581|1.435904|4.143281|3.923889|3.128695|2.760031|3.837834|3.337477|0.081238|0.099110|0.087783|0.115183|0.098110|0.080909|0.087370|0.215682|0.500000| |3.721631|4.071308|3.715195|5.617984|4.957090|5.636924|8.913352|17.755306|8.911115|47.237348|13.096722|8.154510|5.115772|0.125266|3.808127|4.340183|2.674301|4.481531|2.332968|4.195443|2.782220|1.811078|1.675998|1.505898|1.380353|1.271855|1.259398|1.350907|1.483597|2.066649|1.135442|5.620950|4.953133|4.398191|4.348782|6.444607|5.442544|0.085931|0.101166|0.112698|0.096445|0.100841|0.085833|0.112468|0.107597|0.124113|0.500000| |6.314535|6.930113|6.320456|8.880179|5.650012|4.953435|5.672545|8.990675|17.728481|27.904500|6.869720|5.741697|3.388041|0.091969|2.688033|3.277522|2.130712|3.626512|1.930387|3.475829|2.368135|1.579061|1.456370|1.334518|1.237112|1.153936|1.147415|1.222548|1.323055|1.901942|1.050474|3.657057|3.760028|3.604756|3.392866|4.508735|3.436234|0.134269|0.151491|0.213774|0.140086|0.151587|0.134363|0.214096|0.124017|0.107575|0.216385|0.500000| |1.922645|2.144350|2.076502|2.555755|2.768652|3.360008|3.821591|3.325976|2.750200|36.998463|8.316517|8.356659|8.897235|0.203616|17.668845|12.693112|7.664824|14.195880|4.759783|7.332017|5.391358|3.054301|2.758260|2.270961|2.047479|1.791108|1.708344|1.828648|2.106968|2.711072|1.440389|7.263108|5.397455|4.233198|4.053645|6.291183|6.207097|0.048548|0.053237|0.053710|0.057396|0.061129|0.051722|0.058271|0.070022|0.096204|0.094535|0.069384|0.500000| |2.006347|2.191949|2.070073|2.651630|2.867794|3.573721|4.272056|3.661833|2.913330|48.535959|12.014907|10.901608|8.759491|0.175079|17.590716|12.493294|6.021940|9.353529|4.351536|7.404371|4.736152|2.812390|2.630798|2.196056|1.952457|1.725004|1.673356|1.816183|2.089730|2.662419|1.431004|6.409238|4.467513|3.621608|3.643655|6.005899|6.188592|0.050179|0.056396|0.056451|0.058216|0.059630|0.051471|0.058377|0.071462|0.101835|0.106799|0.073160|0.302479|0.500000| |2.013386|2.222711|2.046815|2.677768|3.096459|3.971938|4.185153|3.304330|2.750205|43.371037|8.542514|14.577516|6.611029|0.180860|8.977972|25.955251|9.501346|10.848446|7.734890|14.907081|6.872396|3.927281|3.486308|2.817145|2.395946|2.083470|2.041424|2.279605|2.711292|3.184029|1.710345|4.398852|3.605655|2.896399|2.726959|4.080035|3.763943|0.050589|0.057572|0.055044|0.060963|0.059326|0.051278|0.055970|0.080051|0.126648|0.088799|0.067369|0.179474|0.213871|0.500000| |1.511848|1.671034|1.610783|1.881916|2.101782|2.399560|2.381044|2.077076|1.876486|19.633918|4.329886|5.345342|3.308400|0.099017|3.966099|6.925764|7.836457|15.169533|9.587418|10.906584|26.036790|8.911571|6.227504|4.333085|3.796942|3.007124|2.701070|2.869626|3.542653|4.054808|2.052016|2.828605|2.673818|2.319023|2.154961|3.026939|2.517192|0.039259|0.042366|0.041064|0.046762|0.047562|0.041497|0.043740|0.057233|0.073499|0.056084|0.047776|0.115721|0.095959|0.126232|0.500000| |1.502514|1.643043|1.548193|1.829719|2.085023|2.352751|2.237604|1.931922|1.777299|17.842163|3.906854|5.168736|2.700202|0.081318|3.008190|5.256411|4.673282|7.315042|7.319663|13.079525|12.574923|17.622919|8.836187|6.904099|5.057607|3.993402|3.813241|4.438432|6.087920|5.417680|2.753179|2.278611|2.162100|1.888973|1.760050|2.469306|2.040801|0.039202|0.042795|0.040270|0.046827|0.045214|0.040256|0.041457|0.058373|0.074335|0.051247|0.045028|0.080705|0.076233|0.111120|0.181319|0.500000| |1.388693|1.521166|1.458650|1.677484|1.878196|2.087162|2.011309|1.771561|1.639954|15.880979|3.534884|4.403746|2.488993|0.074651|2.784165|4.647024|4.309504|7.492649|5.838015|8.895744|12.594617|17.584685|8.807967|6.865966|5.983955|4.401153|3.798011|3.991814|5.084673|5.425750|2.645989|2.171650|2.096048|1.859364|1.732794|2.407916|1.960176|0.036432|0.039156|0.037390|0.043182|0.042836|0.038070|0.039232|0.052397|0.064351|0.047389|0.041956|0.077937|0.070270|0.092769|0.225497|0.302842|0.500000| |1.280156|1.379950|1.321977|1.525587|1.679193|1.877132|1.865323|1.663086|1.521964|15.191982|3.501868|4.196797|2.347105|0.067267|2.752733|4.539140|4.084788|7.055873|5.256099|8.304846|9.525669|8.862968|17.537241|8.882913|7.100444|4.714588|3.960416|4.197706|5.661730|5.535190|2.676044|2.063341|1.935479|1.739162|1.667331|2.367976|1.926973|0.033523|0.036203|0.034848|0.038689|0.038375|0.034499|0.035988|0.046100|0.056914|0.045335|0.039277|0.077371|0.072477|0.090783|0.178818|0.173872|0.211807|0.500000| |1.369387|1.471092|1.389530|1.639987|1.825225|2.067253|2.045451|1.796680|1.632411|16.917210|3.869437|4.853333|2.528118|0.072218|2.977084|5.119750|4.409770|6.934129|6.296213|11.444308|9.575351|8.903769|17.569098|8.887510|5.654275|4.207738|3.962254|4.703753|7.106089|5.510051|2.779384|2.159273|1.991476|1.766776|1.694638|2.430670|2.007403|0.035685|0.039068|0.037190|0.041303|0.040117|0.036149|0.037737|0.050097|0.063605|0.048758|0.041825|0.080304|0.079268|0.108108|0.155011|0.212978|0.173995|0.303291|0.500000| |1.143507|1.227642|1.183641|1.331704|1.455380|1.586615|1.554681|1.407543|1.314527|12.188998|2.825345|3.316401|1.853164|0.053576|2.068781|3.253127|2.786962|4.945310|3.344664|5.567151|5.683821|5.508342|6.961858|8.893673|17.689964|8.989154|5.653635|4.961757|5.676442|7.622322|3.336600|1.674503|1.611671|1.475172|1.410092|1.969991|1.569676|0.030251|0.032273|0.031006|0.034672|0.034350|0.031217|0.032087|0.040495|0.047721|0.038205|0.034185|0.058271|0.054610|0.065604|0.112529|0.129066|0.172116|0.212744|0.143374|0.500000| |1.041505|1.108544|1.067628|1.186989|1.290612|1.385125|1.346806|1.230903|1.164059|10.344346|2.415421|2.808140|1.533968|0.044268|1.667802|2.565775|2.106237|3.692374|2.457963|4.285198|3.867316|3.538343|4.074010|5.608121|8.894705|17.733554|8.956276|5.665417|4.976223|13.486284|4.873817|1.401091|1.358736|1.256394|1.204093|1.674487|1.321410|0.027746|0.029471|0.028167|0.031462|0.030818|0.028389|0.028865|0.036219|0.041451|0.033338|0.030430|0.046459|0.044492|0.052593|0.075753|0.093520|0.106259|0.111582|0.096820|0.215512|0.500000| |1.171398|1.235965|1.163163|1.331707|1.469459|1.589277|1.525773|1.374081|1.295657|11.752977|2.726954|3.314300|1.664872|0.047960|1.795030|2.823776|2.221328|3.665759|2.700749|5.183134|3.899313|3.571182|4.093886|5.630278|4.967406|5.636271|8.871498|17.758814|8.946256|12.460993|7.442663|1.480601|1.411932|1.286502|1.233221|1.734216|1.389760|0.031063|0.033676|0.031492|0.035276|0.033246|0.030860|0.031277|0.041497|0.048373|0.036917|0.033580|0.048177|0.048445|0.060677|0.071176|0.107999|0.094024|0.097004|0.112124|0.107733|0.124190|0.500000| |1.320455|1.405603|1.315961|1.543576|1.724229|1.912571|1.845570|1.630416|1.510521|14.656360|3.354061|4.242175|2.092058|0.060343|2.319345|3.816971|3.056782|4.862547|4.023572|8.091403|5.753056|5.596920|7.000303|8.938745|5.674570|4.973192|5.660392|8.956419|17.694885|7.456233|3.917325|1.810439|1.698452|1.521244|1.454350|2.064451|1.683618|0.034656|0.037990|0.035563|0.039927|0.037752|0.034548|0.035446|0.048224|0.059118|0.043784|0.038771|0.061559|0.062238|0.083364|0.098524|0.176951|0.130468|0.143498|0.212735|0.124360|0.107892|0.218016|0.500000| |1.025569|1.073946|1.018289|1.143950|1.244659|1.327977|1.283089|1.174203|1.116361|9.771166|2.300996|2.697179|1.384786|0.039608|1.480750|2.265348|1.766772|2.981198|2.052730|3.832989|2.962172|2.578983|2.909951|3.726714|3.800172|4.768382|7.041778|6.731735|4.578837|16.440967|17.557044|1.256295|1.206510|1.114870|1.075564|1.507187|1.192662|0.027378|0.029391|0.027657|0.030594|0.029014|0.027195|0.027466|0.035130|0.039802|0.031721|0.029204|0.040138|0.040259|0.048027|0.056041|0.074590|0.070437|0.074208|0.078864|0.088376|0.120082|0.223785|0.113277|0.500000| |1.069967|1.125801|1.066618|1.195600|1.308555|1.389780|1.327632|1.210540|1.156777|10.005539|2.331203|2.768109|1.420535|0.041051|1.502995|2.307927|1.807363|3.048237|2.114475|3.949485|3.070516|2.709578|2.911982|3.723263|3.795549|4.762078|7.037281|6.731464|4.576085|16.440071|17.556267|1.285996|1.244139|1.146172|1.097072|1.528015|1.209869|0.028613|0.030657|0.028702|0.032273|0.030483|0.028528|0.028616|0.037233|0.041870|0.032483|0.030172|0.040693|0.040465|0.048959|0.057868|0.080351|0.075314|0.072966|0.077328|0.088238|0.119867|0.223924|0.113203|0.298996|0.500000| |0.976132|1.023543|0.975855|1.082544|1.173886|1.241687|1.195711|1.099995|1.052889|9.006135|2.118522|2.461085|1.284559|0.036898|1.361229|2.063302|1.614855|2.758896|1.850794|3.401684|2.696739|2.328083|2.536160|3.170896|3.414560|4.415906|5.881205|4.903163|3.617377|17.004942|17.643046|1.175656|1.139698|1.058617|1.018505|1.417567|1.114770|0.026173|0.027874|0.026287|0.029231|0.027859|0.026165|0.026281|0.033265|0.037061|0.029675|0.027619|0.037133|0.036822|0.043371|0.051759|0.066895|0.065428|0.065835|0.067171|0.082257|0.121309|0.145646|0.089098|0.299995|0.300002|0.500000| |2.620940|3.184524|3.261060|3.906475|4.118169|4.681743|5.116312|4.734789|4.152999|34.273415|7.105602|6.975251|6.998663|0.227004|4.857148|5.525723|3.723106|6.785677|3.017931|4.998817|3.698859|2.296758|2.015705|1.769780|1.638957|1.483250|1.433716|1.516704|1.685935|2.328186|1.253022|8.894973|17.708176|8.916458|5.679577|6.757708|5.670763|0.065410|0.069359|0.072546|0.083684|0.103148|0.077543|0.091126|0.100682|0.120929|0.123323|0.101949|0.137360|0.112377|0.101396|0.077933|0.063656|0.061608|0.055144|0.056727|0.046264|0.039018|0.040573|0.048802|0.034492|0.035852|0.032684|0.500000| |2.389790|2.797106|3.088638|3.167686|3.032637|3.159639|3.499373|3.715225|3.507793|23.378316|5.521874|4.857415|4.087314|0.113855|3.342138|3.832637|2.660255|4.991009|2.239159|3.730612|2.846183|1.821954|1.648415|1.473848|1.390751|1.273447|1.228095|1.282524|1.403823|2.017946|1.087695|5.642748|8.876220|17.738745|8.901495|7.760125|5.042991|0.061001|0.061644|0.068241|0.071763|0.096281|0.075207|0.091332|0.075726|0.080318|0.104774|0.095026|0.098608|0.084587|0.071522|0.060652|0.049930|0.049573|0.045794|0.046162|0.039510|0.033893|0.034381|0.040207|0.029962|0.030921|0.028618|0.213313|0.500000| |2.123414|2.345231|2.514118|2.637187|2.481985|2.625953|3.042781|3.352027|3.060661|21.673097|5.631647|4.456972|3.591278|0.091699|3.149426|3.506854|2.390971|4.457688|2.014792|3.386569|2.551451|1.643605|1.528734|1.368391|1.292251|1.185626|1.144811|1.195206|1.305774|1.885694|1.018560|5.023317|5.676073|8.901682|17.709369|12.717764|5.912749|0.054269|0.055501|0.062386|0.059486|0.073682|0.062458|0.076446|0.061728|0.067012|0.103204|0.086462|0.093384|0.085205|0.065783|0.054216|0.044717|0.044334|0.042851|0.043268|0.036722|0.031602|0.032106|0.037445|0.028247|0.028773|0.026845|0.124254|0.213664|0.500000| 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