Version2.0 2020-02-16T11:26:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C40312842 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C01[X(C27H38N2O5S2)] 216 C1 624 O[C@@H](COc1ccc(cc1)C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C O[C@@H](COc1ccc(cc1)C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C Cc1ccc(OC[C@H](O)CNc2sc3C[C@H](CCc3c2C(=O)N[C@@H]4CC[S](=O)(=O)C4)C(C)(C)C)cc1 InChIKey=JLIXCMRMWFIFPM-XUVXKRRUSA-N InChI=1S/C27H38N2O5S2/c1-17-5-8-21(9-6-17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)22-10-7-18(27(2,3)4)13-23(22)35-26/h5-6,8-9,18-20,28,30H,7,10-16H2,1-4H3,(H,29,31)/t18-,19+,20+/m0/s1 InChI=1/C27H38N2O5S2/c1-17-5-8-21(9-6-17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)22-10-7-18(27(2,3)4)13-23(22)35-26/h5-6,8-9,18-20,28,30H,7,10-16H2,1-4H3,(H,29,31)/t18-,19+,20+/m0/s1/f/h29H Cc1ccc(cc1)OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C01[X(C27H38N2O5S2)] 216 C01 624 O[C@@H](COc1ccc(cc1)C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C O[C@@H](COc1ccc(cc1)C)CN[C@@H]1SC2=C([C@@H]1C(=O)N[C@@H]1CC[S@@](=O)(C1)O)CC[C@@H](C2)C(C)(C)C Cc1ccc(OC[C@H](O)CN[C@@H]2SC3=C(CC[C@@H](C3)C(C)(C)C)[C@@H]2C(=O)N[C@@H]4CC[S](O)(=O)C4)cc1 InChIKey=PKTTYNYUTKJAAD-AGTPCEQSSA-N InChI=1S/C27H41N2O5S2/c1-17-5-8-21(9-6-17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)22-10-7-18(27(2,3)4)13-23(22)35-26/h5-6,8-9,18-20,24,26,28,30H,7,10-16H2,1-4H3,(H,29,31)(H,32,33)/t18-,19+,20+,24+,26+/m0/s1 InChI=1/C27H41N2O5S2/c1-17-5-8-21(9-6-17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)22-10-7-18(27(2,3)4)13-23(22)35-26/h5-6,8-9,18-20,24,26,28,30H,7,10-16H2,1-4H3,(H,29,31)(H,32,33)/t18-,19+,20+,24+,26+/m0/s1/f/h29,32H 4193.0377666869 -2322.7378697 1-A 35318.5499 143 481 624 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.17286 -91.96985 -20.60990 -20.58644 -20.54361 -20.54145 -20.53613 -15.59853 -15.58960 -11.36110 -11.32427 -11.30869 -11.30686 -11.30548 -11.29928 -11.28367 -11.27167 -11.26320 -11.26125 -11.24938 -11.24319 -11.24242 -11.24145 -11.23961 -11.23807 -11.23688 -11.23626 -11.23234 -11.23174 -11.22853 -11.22746 -11.21884 -11.21512 -11.20940 -11.20884 -11.20773 -9.15120 -8.98056 -6.83699 -6.83599 -6.83591 -6.66328 -6.66218 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60.23 71.63 74.20 90.37 103.30 118.41 127.94 138.02 176.24 193.44 210.74 223.74 237.25 261.87 264.06 268.05 287.76 334.47 354.94 368.45 380.36 410.74 413.80 438.87 455.71 458.38 474.99 500.59 519.08 530.42 533.91 546.95 550.27 571.54 595.82 601.29 624.08 634.52 653.14 666.74 687.07 694.99 711.95 750.34 755.60 758.79 779.99 785.15 797.77 812.98 826.57 859.06 883.95 893.04 894.97 940.98 1007.58 1012.24 1033.93 1101.29 1112.52 1125.97 1149.16 1177.96 1208.31 1229.30 1230.30 1279.09 1293.04 1313.02 1326.88 1330.41 1343.76 1369.97 1410.86 1419.37 1434.73 1445.12 1452.73 1459.70 1478.12 1490.12 1508.46 1512.58 1524.58 1529.98 1550.09 1566.08 1572.39 1580.23 1602.46 1603.84 1623.73 1632.66 1652.87 1691.29 1691.56 1713.22 1722.82 1725.93 1736.49 1743.80 1750.83 1756.78 1766.15 1780.61 1822.70 1834.56 1847.98 1863.14 1870.44 1879.76 1894.00 1916.34 1925.42 1930.90 1945.89 1949.56 1976.67 1998.46 2002.47 2007.76 2013.11 2029.97 2038.75 2056.46 2063.00 2074.66 2096.77 2102.40 2107.27 2107.90 2118.71 2155.01 2167.42 2191.48 2199.30 2211.85 2234.96 2240.92 2243.48 2246.37 2257.92 2258.47 2271.04 2284.84 2306.82 2312.08 2313.66 2337.94 2347.50 2347.57 2353.67 2356.44 2358.31 2359.17 2360.66 2364.70 2379.27 2384.00 2387.08 2390.58 2398.62 2401.82 2427.13 2440.42 2487.13 2565.86 2601.79 2628.94 2787.31 4568.48 4577.31 4599.62 4600.56 4606.84 4607.36 4614.84 4622.31 4623.70 4632.24 4639.98 4648.50 4672.78 4679.99 4680.20 4680.44 4687.14 4689.70 4696.83 4698.89 4698.96 4701.75 4708.48 4714.07 4717.97 4718.90 4728.23 4732.60 4754.34 4797.65 4825.73 4826.67 4834.91 4874.59 4893.94 5522.01 5546.87 5890.88 0.672168 0.707096 0.708040 0.598620 -2322.065702 -2322.030774 -2322.029830 -2322.139250 3.669965D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE Cc1ccc(cc1)OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C40312842 RHF 6-31G(d) (6D,10F) C1 534.222216 |X|Y|Z| 155.406807 101.624130 28.978652 77.063433 27 6 7 8 16 22 2 1 2 |36.858105| |12.606886|36.858105| |7.536428|13.639169|36.858105| |5.011440|7.873876|13.845156|36.858105| |4.415214|6.794863|7.943848|13.682539|36.858105| |4.988749|7.853043|6.896240|7.951282|13.799706|36.858105| |7.533656|13.794622|8.025223|6.920562|7.952022|13.674771|36.858105| |3.360217|4.580581|5.288905|8.172183|14.027470|7.858182|5.188785|73.516695| |2.906812|3.760716|3.977882|5.240666|7.958299|6.687650|4.493163|24.147615|36.858105| |2.403781|2.968349|3.210234|4.105376|5.243361|4.400549|3.336942|14.516844|12.546115|36.858105| |2.339684|2.868577|3.155593|4.041566|4.914995|4.040200|3.148510|13.170024|8.941628|17.532481|0.500000| |2.102554|2.513384|2.621999|3.157693|3.896069|3.595426|2.848784|9.145890|7.565210|12.543777|0.247688|36.858105| |1.848424|2.163512|2.282932|2.706593|3.154759|2.879052|2.378486|7.136842|5.046249|7.893272|0.199712|13.150751|53.358707| |1.654807|1.900224|1.975752|2.279062|2.609630|2.455767|2.083225|5.602070|3.837471|5.118680|0.133049|7.739226|18.877612|36.858105| |1.502438|1.702850|1.774223|2.020387|2.256786|2.124601|1.840300|4.731522|3.090570|3.931907|0.104230|5.123495|10.487899|13.969358|36.858105| |1.380263|1.545575|1.591893|1.782812|1.979714|1.900071|1.670753|4.042693|2.618402|3.144815|0.084185|3.998873|7.040000|8.123890|13.074417|36.858105| |1.404719|1.572395|1.603108|1.787892|2.006092|1.954620|1.716605|4.068590|2.681300|3.144745|0.084065|4.118140|6.749934|7.602869|8.159988|14.243304|36.858105| |1.600024|1.819499|1.852619|2.096150|2.414050|2.353787|2.018607|5.004644|3.460095|4.153869|0.109472|6.101841|9.615496|10.943264|7.415114|7.436339|10.886393|388.023441| |1.300382|1.438939|1.453860|1.598361|1.779248|1.758108|1.567937|3.529516|2.290147|2.577635|0.069426|3.218788|4.911470|4.785794|5.020209|7.483789|12.657433|47.657958|36.858105| |1.188664|1.305508|1.324780|1.448505|1.588659|1.560436|1.406428|3.129838|1.984555|2.229068|0.060639|2.673499|4.133483|3.873124|4.397278|6.594968|7.618493|32.651083|12.353118|36.858105| |1.176573|1.292661|1.318178|1.443958|1.576285|1.537809|1.386230|3.114464|1.961111|2.220182|0.061338|2.632813|4.135695|3.832008|4.367687|6.317035|6.872057|31.370720|8.974400|17.487924|0.500000| |1.184230|1.301555|1.326774|1.453656|1.588188|1.550110|1.396670|3.138421|1.978846|2.242416|0.060360|2.671489|4.207884|3.966374|4.900015|7.609482|6.860086|30.027276|7.622416|12.379559|0.248286|36.858105| |1.251632|1.386272|1.427117|1.580422|1.727235|1.661724|1.483838|3.466745|2.187422|2.555741|0.068976|3.065351|5.114284|5.029012|7.214606|12.630153|7.691728|33.745688|6.308652|7.483002|0.198269|12.438127|36.858105| |1.105185|1.203135|1.213296|1.313040|1.431827|1.418950|1.293286|2.780169|1.745425|1.914734|0.052151|2.243298|3.348553|2.977697|3.243733|4.303719|4.869768|24.935534|7.323857|12.207900|0.247709|7.310596|4.826282|36.858105| 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|4.082794|5.608573|8.906203|17.729562|8.944535|5.666054|4.977679|13.443652|4.858394|4.136389|0.116611|3.127314|3.751471|2.303358|2.058250|1.801303|1.787242|14.785413|1.589257|1.449869|0.040343|1.461310|1.601530|1.309284|1.269382|1.218987|1.294411|2.061384|3.328511|3.129114|2.217678|0.059207|2.535429|2.262526|13.689032|3.427641|3.061182|1.934978|7.451098|0.107932|0.095761|0.107944|0.215767|0.500000| |4.087789|5.630161|4.967549|5.636869|8.881052|17.756571|8.935519|12.461107|7.397125|4.660295|0.115183|3.984257|4.194249|2.643013|2.253980|2.024468|2.109120|18.376974|1.896757|1.662843|0.045274|1.643892|1.754112|1.510118|1.487340|1.365633|1.514085|2.106911|3.320751|3.098293|2.064355|0.053761|2.214945|1.930366|12.521520|3.216813|2.775804|1.851812|7.078330|0.099432|0.113128|0.099451|0.107742|0.124166|0.500000| |6.969243|8.945377|5.675504|4.975818|5.669011|8.956817|17.704475|7.453809|3.904565|2.981033|0.077884|2.646013|3.020634|1.977886|1.753550|1.610789|1.667052|13.874999|1.538060|1.377926|0.037587|1.363508|1.435634|1.275659|1.264564|1.168619|1.283632|1.671069|2.698163|2.436522|1.673466|0.044053|1.799676|1.626005|10.636654|2.746569|2.399855|1.535646|4.887896|0.151699|0.221254|0.151754|0.124392|0.107930|0.218096|0.500000| |2.901621|3.712816|3.789182|4.755791|7.012554|6.694639|4.555307|16.493045|17.547660|8.834663|0.214994|6.830945|6.307317|3.669892|2.935769|2.551426|2.677142|25.004316|2.319877|1.991374|0.054775|1.950820|2.128696|1.762391|1.699463|1.580247|1.768117|2.667135|4.105790|3.893199|2.488493|0.065149|2.618116|2.192178|14.022442|3.511256|3.085411|2.147986|10.141474|0.073091|0.078025|0.075335|0.088156|0.119856|0.222243|0.112786|0.500000| |2.918868|3.739616|3.811782|4.782609|7.077446|6.780175|4.598088|16.522371|17.555598|8.864124|0.174374|6.912922|6.355183|3.714597|3.034873|2.596385|2.662504|24.123060|2.287603|1.978145|0.053651|1.988512|2.180168|1.747362|1.713500|1.566932|1.719438|2.816622|4.270950|4.289877|2.750198|0.069776|2.976554|2.461554|15.767553|4.047120|3.395273|2.392152|12.707479|0.075762|0.078501|0.073454|0.088565|0.120199|0.225514|0.113766|0.299250|0.500000| |2.088228|2.482389|2.548942|3.020580|3.738467|3.567802|2.844019|8.415347|6.908232|8.916318|0.215986|17.570050|12.460329|6.835443|4.594549|3.841108|4.189790|47.489486|3.354928|2.723531|0.074766|2.634209|2.947905|2.302432|2.175489|2.008733|2.291699|3.742308|5.487279|5.184138|3.035626|0.079144|2.970167|2.399706|15.749149|3.869078|3.440505|2.568531|10.287583|0.054299|0.056816|0.055082|0.063017|0.081911|0.112189|0.074309|0.204568|0.170556|0.500000| |2.107972|2.508294|2.572836|3.048388|3.780922|3.615297|2.878167|8.486983|6.976045|8.893273|0.174362|17.492371|12.280256|6.883096|4.885282|3.927099|4.062123|41.146130|3.219605|2.661787|0.071263|2.698031|3.047244|2.250536|2.187972|1.966958|2.173098|4.115243|5.819067|6.135962|3.508459|0.086951|3.495260|2.748808|18.219159|4.594184|3.862428|2.988502|12.889591|0.055696|0.057366|0.054658|0.063532|0.082484|0.113821|0.075192|0.170582|0.210040|0.301083|0.500000| |1.844849|2.160004|2.314154|2.764269|3.158641|2.814644|2.339240|7.206575|4.812699|7.657060|0.196044|9.260849|26.028180|9.532096|7.193777|4.707351|4.249028|37.819145|3.189729|2.794945|0.078046|2.922221|3.610316|2.286405|2.143429|2.062716|2.159308|6.921738|8.890877|11.210076|5.523227|0.139221|5.159745|3.658297|22.888163|5.349147|4.789914|4.008445|14.670579|0.049355|0.049259|0.048842|0.059071|0.079690|0.081860|0.060102|0.117537|0.124017|0.182190|0.203264|0.500000| |1.303730|1.441052|1.452491|1.593499|1.774683|1.759891|1.572089|3.507276|2.274153|2.534786|0.069217|3.136913|4.686146|4.379189|4.331806|5.774923|8.963698|45.720314|17.571099|8.781234|0.221335|5.541783|4.886215|6.584201|5.093542|4.553687|7.137869|3.306561|5.510036|3.802837|2.336981|0.063660|2.061295|1.805325|13.021263|3.147776|3.008232|2.201027|4.138570|0.034656|0.036105|0.035028|0.037673|0.043916|0.052813|0.042923|0.065033|0.062456|0.093659|0.085514|0.083769|0.500000| |1.305283|1.440742|1.444987|1.580588|1.765639|1.763767|1.577730|3.473046|2.262169|2.496371|0.066209|3.113286|4.570826|4.313100|4.404210|6.019692|8.925755|42.546857|17.515709|8.742778|0.174514|6.609322|5.271630|6.805965|6.551872|4.458179|6.044715|3.379073|5.538843|3.948656|2.419771|0.064367|2.127930|1.867062|13.774091|3.387169|3.154873|2.343266|4.167799|0.034873|0.036264|0.034816|0.037417|0.043371|0.053194|0.043263|0.063674|0.063760|0.089983|0.089179|0.082809|0.303945|0.500000| |1.113316|1.216915|1.241688|1.353610|1.466209|1.429811|1.297834|2.877480|1.790857|2.012938|0.054507|2.341126|3.650917|3.305074|4.022427|5.562164|4.979397|24.336279|5.512209|8.746742|0.207470|17.582049|8.905263|6.881728|5.987427|6.887062|4.494129|3.649749|6.880876|4.034978|2.629344|0.072374|2.191425|1.997994|15.464247|3.671925|3.685383|2.708063|3.561186|0.030125|0.030619|0.029873|0.032708|0.037890|0.041865|0.035217|0.048984|0.049932|0.063987|0.065489|0.071672|0.123108|0.138478|0.500000| |1.200511|1.318628|1.337838|1.462383|1.603722|1.575643|1.420534|3.156446|1.999706|2.242634|0.059497|2.684726|4.134215|3.861822|4.634446|6.715429|6.379619|29.515956|7.085221|8.826126|0.174731|17.524857|8.878780|6.479751|6.729648|5.133742|4.460623|3.924941|6.836910|4.416000|2.775399|0.073794|2.332222|2.085185|16.148190|3.928433|3.740502|2.850216|3.950725|0.032439|0.033125|0.032019|0.034993|0.040641|0.046622|0.038657|0.054598|0.056545|0.073146|0.077132|0.079659|0.141723|0.199599|0.303743|0.500000| |1.246142|1.378942|1.422751|1.574741|1.713688|1.643989|1.471043|3.434279|2.150436|2.508093|0.067012|2.958638|4.901548|4.629048|6.698320|8.900816|5.830912|29.218132|4.863208|5.482685|0.142834|8.838423|17.573292|4.010786|3.730011|3.713321|3.172859|6.551641|12.550380|6.479668|4.004060|0.107550|3.074163|2.705338|21.375078|4.952901|4.910997|4.162266|4.581907|0.033806|0.034026|0.033266|0.037357|0.044432|0.048009|0.039477|0.057402|0.060049|0.077299|0.083021|0.099240|0.108647|0.122255|0.210843|0.219908|0.500000| |1.213939|1.341793|1.387928|1.536304|1.665390|1.592449|1.426907|3.340385|2.081417|2.437765|0.067041|2.855442|4.795571|4.520813|6.266687|8.942251|6.158561|29.806590|5.296128|6.554243|0.202391|8.787355|17.551277|4.482089|3.730316|4.315534|3.585168|5.799244|11.997255|5.595718|3.500156|0.099728|2.758818|2.437429|18.361813|4.184532|4.321494|3.399898|4.339177|0.032784|0.033104|0.032631|0.036530|0.043496|0.046366|0.038247|0.056405|0.056942|0.076699|0.077123|0.095444|0.123400|0.120889|0.218843|0.173987|0.305941|0.500000| |1.075996|1.166834|1.173254|1.263899|1.374946|1.368009|1.253112|2.652297|1.657959|1.801228|0.048259|2.091570|3.080938|2.697872|2.982412|3.802446|4.001483|21.457370|5.118581|6.626148|0.139794|6.873263|4.453825|8.707588|17.566471|6.961616|5.502516|2.641392|4.687876|3.138397|2.061259|0.055611|1.804852|1.658025|12.728680|3.131486|3.018079|2.121871|3.138361|0.029075|0.029874|0.028810|0.030826|0.034939|0.040411|0.034436|0.045924|0.046881|0.058342|0.059855|0.059467|0.119595|0.155575|0.197162|0.221192|0.114142|0.108426|0.500000| |1.039400|1.121650|1.121756|1.201261|1.305552|1.308374|1.205549|2.498027|1.557816|1.669156|0.045041|1.922586|2.777872|2.381728|2.532513|3.119154|3.436864|19.534428|4.552779|5.420952|0.123560|4.674896|3.410959|8.795486|17.538816|6.941032|7.091350|2.235606|3.946397|2.697836|1.781558|0.048389|1.590286|1.464881|11.048349|2.722293|2.629527|1.803501|2.867592|0.027999|0.028966|0.027918|0.029487|0.033080|0.038705|0.033304|0.043684|0.043874|0.054615|0.054621|0.053220|0.117480|0.138702|0.130447|0.136307|0.086165|0.087079|0.302592|0.500000| |1.145266|1.245264|1.243490|1.339908|1.472504|1.479318|1.350066|2.837933|1.798556|1.936413|0.051640|2.288179|3.299309|2.902842|3.062165|3.885977|4.521872|24.800408|6.446548|6.729429|0.137880|5.707995|4.057173|8.694017|17.551887|5.494753|6.806442|2.600058|4.463079|3.122907|2.012098|0.053900|1.788416|1.620538|12.203330|3.025418|2.855011|2.022391|3.307364|0.030785|0.031935|0.030617|0.032479|0.036773|0.044156|0.037283|0.050404|0.051009|0.065099|0.065883|0.062267|0.153380|0.231510|0.140923|0.183596|0.101035|0.097798|0.301654|0.302595|0.500000| |1.026942|1.113673|1.131398|1.222594|1.316477|1.291935|1.184048|2.553131|1.574613|1.735907|0.048122|1.978848|2.995051|2.589542|2.864645|3.608327|3.733394|20.343356|4.620403|6.902033|0.220919|5.424198|4.242177|8.733921|5.505562|17.535684|6.969481|2.575767|4.795122|2.968317|1.969245|0.055448|1.715628|1.579322|11.744541|2.790323|2.839518|1.950733|2.986203|0.027635|0.028326|0.027801|0.029908|0.034142|0.037748|0.032288|0.044053|0.043254|0.056076|0.054061|0.057948|0.125195|0.112392|0.167197|0.123182|0.099712|0.124406|0.141034|0.141542|0.122277|0.500000| |0.982700|1.059818|1.069520|1.147673|1.235450|1.223296|1.128346|2.373283|1.462155|1.586269|0.043564|1.800283|2.661841|2.269549|2.465506|3.032747|3.191971|17.984416|4.020733|5.469943|0.145955|4.603520|3.484957|8.774949|6.979628|17.541620|7.076524|2.230378|4.082161|2.641336|1.767338|0.049122|1.561826|1.449419|10.870879|2.622356|2.629653|1.777809|2.734860|0.026486|0.027226|0.026558|0.028277|0.031882|0.035823|0.030958|0.040946|0.040561|0.051020|0.049953|0.051555|0.107973|0.106808|0.142378|0.116099|0.086067|0.096299|0.173430|0.209554|0.141406|0.301833|0.500000| |1.015103|1.099662|1.116065|1.204537|1.296640|1.274156|1.169154|2.510645|1.547988|1.703437|0.046615|1.942920|2.935979|2.548539|2.886765|3.666668|3.647183|19.537172|4.416214|6.761121|0.177372|6.653326|4.641541|8.675872|6.884245|17.577449|5.517313|2.642261|4.939635|3.058709|2.043874|0.056889|1.767087|1.638246|12.468892|2.982607|3.020135|2.082698|2.974538|0.027432|0.028018|0.027370|0.029509|0.033613|0.037236|0.031913|0.042892|0.042993|0.054207|0.053995|0.057374|0.110290|0.114148|0.245977|0.155802|0.114069|0.128890|0.206743|0.169717|0.140300|0.301662|0.302992|0.500000| |1.157774|1.260053|1.258947|1.357804|1.493014|1.498873|1.366456|2.880539|1.826341|1.966101|0.053637|2.318154|3.334550|2.900078|2.932250|3.649730|4.546221|26.348454|7.005504|6.617626|0.160091|4.461864|3.565466|8.685454|6.997920|5.524338|17.566074|2.447647|4.213251|2.920053|1.874647|0.051185|1.682504|1.515716|11.079728|2.706755|2.603259|1.820398|3.265312|0.030878|0.032269|0.031185|0.032871|0.037273|0.044744|0.037709|0.052282|0.050704|0.068339|0.064468|0.061832|0.230941|0.198626|0.110777|0.119976|0.084729|0.092457|0.140747|0.178817|0.204893|0.140418|0.144261|0.122268|0.500000| |1.048646|1.132846|1.134794|1.216846|1.322031|1.322050|1.216741|2.533956|1.579198|1.695465|0.046569|1.948327|2.819918|2.401740|2.490514|3.040106|3.480759|20.338066|4.749710|5.463467|0.142186|4.003561|3.170215|8.781707|6.875023|7.192064|17.545229|2.168384|3.835839|2.596146|1.705772|0.047037|1.530952|1.401448|10.315559|2.509495|2.459396|1.678169|2.857265|0.028080|0.029189|0.028344|0.029835|0.033550|0.039072|0.033561|0.044918|0.043754|0.056596|0.053988|0.053421|0.142008|0.129622|0.108313|0.105079|0.076903|0.085252|0.141568|0.210655|0.165137|0.177594|0.220365|0.144524|0.302929|0.500000| |1.114468|1.212632|1.221979|1.321111|1.440066|1.428597|1.303434|2.790668|1.748807|1.908228|0.052949|2.217574|3.273199|2.837038|2.936577|3.664851|4.327684|24.608311|6.086575|6.964917|0.207011|4.509559|3.712685|8.722911|5.503725|6.850517|17.528676|2.495350|4.412871|2.923514|1.892319|0.052608|1.683121|1.522512|11.076155|2.664419|2.628966|1.825526|3.183822|0.029751|0.030892|0.030171|0.032067|0.036564|0.042219|0.035730|0.049902|0.047895|0.065001|0.060320|0.061335|0.203065|0.145883|0.116804|0.110986|0.086201|0.102352|0.122323|0.142406|0.140024|0.204289|0.169970|0.139646|0.301270|0.301873|0.500000| |1.665692|1.909786|2.022383|2.340848|2.603399|2.387099|2.048728|5.560308|3.541508|4.604290|0.113735|5.304294|9.495192|6.795024|7.412395|4.946511|4.078600|30.831413|3.121633|2.849166|0.077270|3.210426|4.077577|2.332304|2.249150|2.121389|2.119219|9.385437|11.018414|25.995031|9.130428|0.181598|7.174766|4.739081|32.337017|7.598259|6.254480|6.540467|9.918657|0.045298|0.044744|0.043819|0.052294|0.067057|0.069178|0.053405|0.086826|0.099756|0.116645|0.151825|0.246225|0.078156|0.083205|0.079307|0.090269|0.123051|0.103362|0.064307|0.055395|0.065104|0.058480|0.052863|0.060571|0.060070|0.052761|0.058855|0.500000| |1.747856|2.000788|2.170050|2.515039|2.681460|2.390528|2.086549|5.610760|3.264827|3.945487|0.099319|3.800850|5.747839|3.763925|3.860482|3.052450|2.682536|20.257264|2.231803|2.100013|0.057524|2.321292|2.761796|1.806114|1.764271|1.688459|1.668951|4.729124|7.203179|9.752207|8.784316|0.174034|17.545801|8.852137|46.311609|11.153001|7.915915|6.700451|9.564665|0.048389|0.046293|0.045816|0.056975|0.073935|0.066779|0.053619|0.077768|0.092470|0.086946|0.108122|0.145310|0.057557|0.060394|0.059899|0.065300|0.083312|0.073193|0.050557|0.044553|0.050597|0.046683|0.042953|0.048333|0.047077|0.042505|0.046403|0.217431|0.500000| |1.738809|1.995865|2.208592|2.593792|2.710518|2.353465|2.053078|5.775990|3.256852|4.089137|0.110322|3.753657|5.923066|3.732934|3.798578|2.970461|2.608403|19.854537|2.166746|2.052383|0.057487|2.227650|2.680362|1.760217|1.684760|1.662168|1.642908|4.771027|7.549097|9.280007|8.766199|0.218165|17.601012|8.748467|37.577797|7.942198|7.324825|5.542737|9.776430|0.047878|0.045642|0.046162|0.058529|0.078547|0.064807|0.052251|0.078367|0.087365|0.087201|0.099328|0.156373|0.056769|0.057453|0.057795|0.061075|0.078827|0.073499|0.047866|0.042700|0.047881|0.046636|0.042222|0.047312|0.046053|0.041818|0.046336|0.174095|0.302100|0.500000| |1.582076|1.767842|1.933713|2.176507|2.207644|1.975842|1.788304|4.399331|2.432233|2.759283|0.073207|2.599452|3.831823|2.601013|2.715348|2.304108|2.052481|15.030904|1.780386|1.725393|0.047737|1.897966|2.198143|1.522562|1.489416|1.458517|1.412884|3.272860|5.556738|5.649901|5.578062|0.139040|8.634051|17.625035|57.324869|12.513855|10.672770|5.330480|6.111974|0.044448|0.041656|0.041874|0.052262|0.065017|0.054007|0.046091|0.059786|0.067949|0.063065|0.072518|0.090993|0.046462|0.048152|0.050427|0.052915|0.066222|0.059938|0.042851|0.038169|0.042133|0.040508|0.037505|0.041975|0.039442|0.036497|0.039386|0.112544|0.215608|0.197507|0.500000| |1.462311|1.629742|1.780160|2.005560|2.040673|1.828044|1.651883|4.104762|2.294370|2.669732|0.072916|2.561590|3.941183|2.720216|2.929030|2.474929|2.159224|15.510581|1.863322|1.832816|0.051421|2.025848|2.396161|1.603611|1.545682|1.552794|1.481163|3.706558|6.618060|6.226167|6.813418|0.197713|8.743602|17.597723|57.464815|9.735505|12.599680|6.106222|5.726294|0.040722|0.038585|0.039083|0.048176|0.060101|0.050222|0.042698|0.057344|0.062748|0.062771|0.069644|0.094366|0.048628|0.049609|0.054195|0.055441|0.072265|0.066900|0.044510|0.039510|0.043286|0.043527|0.039689|0.044848|0.040968|0.038162|0.041615|0.113910|0.173014|0.213053|0.299000|0.500000| |1.301875|1.442664|1.526261|1.700303|1.794936|1.668129|1.501455|3.605086|2.141133|2.510501|0.067078|2.663179|4.303909|3.335316|4.082130|3.561860|2.873397|18.874135|2.447648|2.496570|0.068983|2.984698|3.740349|2.123293|2.054963|2.063165|1.872665|5.752662|11.541685|8.480285|8.655406|0.225859|5.648270|5.616067|56.819543|10.006230|12.558762|17.652362|5.073402|0.035891|0.035000|0.034686|0.040647|0.049217|0.047270|0.039599|0.054795|0.059736|0.065930|0.074363|0.098791|0.061280|0.064841|0.080568|0.081809|0.125172|0.102536|0.060934|0.051392|0.056890|0.057064|0.051631|0.061398|0.051134|0.047735|0.051937|0.145214|0.136560|0.125779|0.121408|0.148535|0.500000| 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