Version2.0 2020-07-17T21:57:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(c(c1)OC)[C@H]2[C@@H]3[C@H](C(=O)N(C3=O)c4ccccc4)[C@]([NH2+]2)(c5ccccc5)C(=O)OC C12497134 RHF 6-31G(d) (6D,7F) COc1ccc(c(c1)OC)[C@H]2[C@@H]3[C@H](C(=O)N(C3=O)c4ccccc4)[C@]([NH2+]2)(c5ccccc5)C(=O)OC C01[X(C28H27N2O6)] 183 C1 594 COc1ccc(c(c1)OC)[C@@H]1[NH2+][C@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)(C(=O)OC)c1ccccc1 COc1ccc(c(c1)OC)[C@@H]1[NH2+][C@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)(C(=O)OC)c1ccccc1 COC(=O)[C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c3ccccc3)c4ccc(OC)cc4OC)c5ccccc5 InChIKey=SQQMWRCMDHIMKY-NLJXWPIHSA-O InChI=1S/C28H26N2O6/c1-34-19-14-15-20(21(16-19)35-2)24-22-23(26(32)30(25(22)31)18-12-8-5-9-13-18)28(29-24,27(33)36-3)17-10-6-4-7-11-17/h4-16,22-24,29H,1-3H3/p+1/t22-,23+,24-,28+/m0/s1 InChI=1/C28H26N2O6/c1-34-19-14-15-20(21(16-19)35-2)24-22-23(26(32)30(25(22)31)18-12-8-5-9-13-18)28(29-24,27(33)36-3)17-10-6-4-7-11-17/h4-16,22-24,29H,1-3H3/p+1/t22-,23+,24-,28+/m0/s1/fC28H27N2O6/h29H/q+1 COc1ccc(c(c1)OC)[C@H]2[C@@H]3[C@H](C(=O)N(C3=O)c4ccccc4)[C@]([NH2+]2)(c5ccccc5)C(=O)OC C01[X(C28H27N2O6)] 183 C01 594 COc1ccc(c(c1)OC)[C@@H]1[NH2+][C@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)(C(=O)OC)c1ccccc1 COC(=O)[C@@]1([NH2][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][C]([CH][C]1OC)OC)[C]1[CH][CH][CH][CH][CH]1 CO[C]1[CH][CH][C]([C]([CH]1)OC)[C@@H]2[NH2][C@]([C]3[CH][CH][CH][CH][CH]3)([C@@H]4[C@@H]2C(=O)N([C]5[CH][CH][CH][CH][CH]5)C4=O)C(=O)OC InChIKey=NWAGPEZTXWPTGZ-NLJXWPIHSA-N InChI=1S/C28H27N2O6/c1-34-19-14-15-20(21(16-19)35-2)24-22-23(26(32)30(25(22)31)18-12-8-5-9-13-18)28(29-24,27(33)36-3)17-10-6-4-7-11-17/h4-16,22-24H,29H2,1-3H3/t22-,23+,24-,28+/m0/s1 InChI=1/C28H27N2O6/c1-34-19-14-15-20(21(16-19)35-2)24-22-23(26(32)30(25(22)31)18-12-8-5-9-13-18)28(29-24,27(33)36-3)17-10-6-4-7-11-17/h4-16,22-24H,29H2,1-3H3/t22-,23+,24-,28+/m0/s1 3980.9762927235 -1633.9094024 1-A 17055.5825 128 466 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75703 -20.69867 -20.69599 -20.68862 -20.66665 -20.66588 -15.83854 -15.72614 -11.52801 -11.48880 -11.48599 -11.47527 -11.45122 -11.42058 -11.41506 -11.40629 -11.39973 -11.39354 -11.38151 -11.37237 -11.37098 -11.36833 -11.36504 -11.36024 -11.35913 -11.35401 -11.35049 -11.34809 -11.34534 -11.33163 -11.32599 -11.31621 -11.31528 -11.30867 -11.30770 -11.30684 -1.62235 -1.54408 -1.52965 -1.52489 -1.52143 -1.51772 -1.47976 -1.39510 -1.29007 -1.27718 -1.26563 -1.22667 -1.21456 -1.15790 -1.13946 -1.13880 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 21.3027 23.9835 28.4611 30.5974 36.3806 47.3908 53.3098 63.8841 69.4855 85.2753 89.2231 101.7993 107.5188 120.9425 132.9357 147.0313 149.8149 154.4455 173.2963 192.7682 214.1312 223.9186 232.2616 253.5848 274.8503 278.9973 283.5755 290.8351 297.3728 307.4591 314.3936 340.5891 358.6724 384.4261 396.7335 441.2951 450.6868 457.0621 477.2032 486.3875 516.9142 528.7524 540.7386 547.6537 567.4251 585.4523 619.4127 644.4193 653.7811 673.4925 676.6634 682.9596 689.3956 723.1897 732.8631 755.8310 763.8274 773.7164 783.9330 788.1036 813.7791 818.4611 819.8571 834.0371 859.6995 868.4918 875.3181 908.5422 928.9564 947.5023 958.1646 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0.10539 0.09992 0.06884 30.65 34.51 40.95 44.02 52.34 68.18 76.70 91.92 99.97 122.69 128.37 146.47 154.70 174.01 191.26 211.55 215.55 222.21 249.33 277.35 308.09 322.17 334.17 364.85 395.45 401.41 408.00 418.45 427.85 442.37 452.34 490.03 516.05 553.10 570.81 634.93 648.44 657.61 686.59 699.80 743.72 760.76 778.00 787.95 816.40 842.34 891.20 927.18 940.65 969.01 973.57 982.63 991.89 1040.51 1054.43 1087.47 1098.98 1113.21 1127.90 1133.91 1170.85 1177.58 1179.59 1199.99 1236.92 1249.57 1259.39 1307.19 1336.56 1363.24 1378.59 1382.45 1395.05 1398.19 1471.28 1473.75 1504.99 1512.64 1521.01 1532.94 1542.88 1548.47 1569.15 1574.06 1585.70 1609.65 1620.15 1631.82 1634.00 1645.72 1656.50 1658.76 1689.89 1693.81 1702.36 1727.25 1751.64 1766.45 1771.95 1802.27 1814.57 1820.70 1855.63 1857.68 1859.44 1859.58 1869.79 1879.58 1893.26 1897.90 1904.05 1912.40 1921.77 1932.57 1938.06 1942.45 1954.18 1984.75 2003.98 2073.70 2097.56 2111.24 2119.63 2123.82 2145.70 2156.19 2173.78 2177.89 2202.77 2253.39 2262.20 2300.23 2326.60 2335.07 2341.36 2344.58 2353.95 2359.51 2368.92 2372.09 2375.49 2381.24 2382.76 2407.52 2408.34 2428.61 2537.82 2563.46 2581.62 2593.58 2597.90 2613.71 2631.06 2911.47 2949.39 2996.36 4616.62 4638.70 4648.76 4657.64 4710.49 4740.49 4772.82 4799.88 4826.32 4827.10 4828.85 4832.52 4852.07 4852.26 4865.35 4866.55 4873.52 4877.29 4882.01 4888.84 4897.14 4897.71 4913.46 4926.45 4937.21 5304.08 5395.91 0.549844 0.579874 0.580818 0.485671 -1633.359558 -1633.329528 -1633.328584 -1633.423732 3.191280D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE COc1ccc(c(c1)OC)[C@H]2[C@@H]3[C@H](C(=O)N(C3=O)c4ccccc4)[C@]([NH2+]2)(c5ccccc5)C(=O)OC C12497134 RHF 6-31G(d) (6D,10F) C1 487.186912 |X|Y|Z| 86.425600 83.272932 51.495327 71.829806 26 6 7 24 2 |36.858105| |13.527216|73.516695| |8.006936|25.457435|36.858105| |6.711492|14.066254|13.731874|36.858105| |4.511497|9.308031|7.982119|13.733264|36.858105| |3.775648|8.218042|6.817831|7.849504|13.781686|36.858105| |3.985255|9.475191|7.921265|6.831549|7.960553|13.517531|36.858105| |5.262145|14.712801|13.636448|7.893738|6.914501|7.882386|13.849211|36.858105| |3.178280|7.206243|5.210147|4.620049|5.320193|8.206922|14.245805|7.944475|73.516695| |2.992317|6.804936|4.502791|3.781292|3.992800|5.243500|7.981578|6.712580|23.959481|36.858105| |2.911107|6.021078|4.429415|4.957514|7.411797|12.619799|7.670976|5.061875|12.726190|4.708404|36.858105| |2.695268|5.624879|4.017402|4.215308|5.652709|8.965524|7.340207|4.822530|14.805112|5.292244|17.709800|0.500000| |2.595839|5.240464|3.680421|4.068288|5.530803|7.323869|5.536424|4.088969|9.793835|4.100490|12.483889|0.244292|36.858105| |2.279941|4.563844|3.107253|3.343665|4.298388|5.486968|4.561488|3.476732|8.722147|3.828867|8.919807|0.227127|17.511873|0.500000| |2.545140|4.936632|3.404557|4.003436|5.455066|5.916805|4.338912|3.502689|7.148588|3.179786|7.959296|0.160756|12.601975|0.248648|36.858105| |2.896448|5.571143|3.912057|4.867770|6.896085|6.615845|4.636646|3.851773|7.135038|3.177322|7.347645|0.145320|8.987049|0.175436|17.529708|0.500000| |2.283121|4.368703|2.900273|3.280451|4.058694|4.289626|3.511950|2.977246|5.977082|2.823824|5.160132|0.117878|8.042329|0.196272|12.529720|0.256586|36.858105| |2.075174|3.890444|2.520935|2.845190|3.389807|3.450644|2.902222|2.541787|4.949207|2.404159|3.990572|0.094929|5.435061|0.143057|7.788985|0.184147|16.145051|73.516695| |2.357497|4.605093|3.055115|3.316854|3.990869|4.417939|3.831517|3.233739|6.677261|3.206020|5.110901|0.120147|8.296119|0.198721|8.290833|0.198279|13.655208|14.728054|53.358707| |2.602720|5.273858|3.617159|3.829040|4.750789|5.852984|5.136117|4.042774|9.179512|4.182154|6.963834|0.161121|12.585301|0.256206|8.085064|0.198271|8.118519|9.747856|18.548658|36.858105| |2.683982|5.568391|3.774022|3.759236|4.392248|5.482965|5.500216|4.415713|10.317278|4.980208|5.809868|0.146174|7.810098|0.182269|5.475932|0.145690|5.489426|7.443266|11.253329|16.143124|73.516695| |2.161620|4.168440|2.669608|2.820885|3.199522|3.433479|3.160303|2.801374|5.573233|2.833134|3.736939|0.092581|5.170988|0.134549|5.169435|0.134352|7.667110|11.752992|18.042133|7.644205|11.682457|36.858105| |1.869565|3.574097|2.251566|2.361101|2.651437|2.846310|2.652184|2.366969|4.789761|2.483063|3.161366|0.081025|4.211887|0.118502|4.225691|0.106357|6.050496|10.588638|10.650610|5.426882|8.627400|13.768397|36.858105| |1.728055|3.272918|2.019539|2.090592|2.283437|2.412921|2.300194|2.107577|4.149698|2.210957|2.598293|0.067619|3.255555|0.091014|3.262751|0.085170|4.286367|7.792206|7.006070|4.041694|6.884965|7.975025|13.762254|36.858105| |1.791534|3.377555|2.058351|2.110911|2.255214|2.349105|2.273326|2.129813|4.047766|2.187925|2.443949|0.063387|2.973180|0.080620|2.972768|0.080523|3.747739|6.688743|6.182556|3.740062|6.652386|6.910231|7.937252|13.747989|36.858105| |2.043905|3.866823|2.364180|2.421424|2.566015|2.650207|2.571628|2.431297|4.492498|2.418270|2.684973|0.068549|3.262184|0.085251|3.254038|0.090875|4.054100|6.955286|7.001085|4.281652|7.794741|7.975039|6.864940|7.933473|13.748684|36.858105| |2.292236|4.395577|2.764383|2.875491|3.128098|3.261007|3.094670|2.856867|5.336580|2.785918|3.320557|0.082592|4.224355|0.106453|4.208889|0.118285|5.449585|8.741330|10.633504|6.048004|10.643025|13.769242|7.908049|6.864896|7.937160|13.761264|36.858105| |2.374915|4.551427|3.101393|3.667921|4.967556|5.275951|3.882448|3.165196|6.485106|2.893092|7.414881|0.161570|8.006666|0.202705|12.480166|0.250747|6.857634|10.092575|6.928534|5.180616|7.137455|3.721643|3.302533|2.673115|2.436147|2.592461|3.154762|36.858105| |2.660300|5.242457|3.700961|4.382417|6.385229|7.506048|5.045740|3.878131|8.260345|3.460539|12.252560|0.249274|8.132038|0.195088|8.206754|0.204893|4.996797|7.284168|5.928718|5.025222|7.358935|3.278754|2.876860|2.386476|2.223769|2.396457|2.894530|12.297831|53.358707| |2.904496|5.648269|4.022872|5.025870|7.567120|7.613674|5.003442|4.020353|7.692738|3.278988|8.984226|0.192287|6.150142|0.145104|6.658260|0.192205|4.355163|6.578685|5.208884|4.315758|6.556623|2.980192|2.606424|2.204370|2.087452|2.266898|2.712348|9.024137|25.732635|0.500000| |2.423122|4.763645|3.277387|3.727937|5.013089|5.917158|4.455853|3.488750|7.726131|3.316570|8.951556|0.239589|6.398884|0.175024|6.069897|0.148857|4.190379|6.349333|5.078313|4.253439|6.463566|2.914970|2.635276|2.213504|2.052055|2.177963|2.575531|9.039234|25.702714|0.328421|0.500000| |2.318136|4.297235|2.859033|3.466065|4.453560|4.231506|3.231336|2.790216|5.264926|2.434062|5.006303|0.115794|5.028217|0.128356|7.296470|0.194323|5.264229|8.863331|5.401277|3.852336|5.623625|3.137745|2.833507|2.376502|2.200929|2.336005|2.767318|12.502144|10.286217|0.211855|0.176953|36.858105| |2.243407|4.119365|2.702714|3.248262|4.023718|3.784636|2.977932|2.619525|4.867711|2.275764|4.297960|0.105138|3.971578|0.104273|4.951576|0.135993|3.821944|6.507879|4.243408|3.127083|4.768176|2.566154|2.357041|2.028599|1.897834|2.003109|2.318437|7.508713|8.845682|0.201757|0.172327|13.662525|36.858105| |2.113418|3.787875|2.421042|2.889069|3.379460|3.090968|2.529146|2.302007|4.127983|1.981414|3.324723|0.083056|3.137089|0.082698|3.822941|0.108430|3.191267|5.645847|3.614394|2.616669|4.079393|2.266018|2.103942|1.848411|1.745684|1.835782|2.086642|5.001886|6.077858|0.138750|0.119735|7.910418|13.777759|36.858105| |2.051663|3.626723|2.290059|2.731162|3.121756|2.815335|2.333193|2.154977|3.799084|1.847441|2.974596|0.073684|2.931172|0.076782|3.667563|0.106047|3.230474|5.944265|3.614637|2.535935|3.951191|2.307253|2.147824|1.900416|1.801696|1.893306|2.139350|4.427967|5.118076|0.113660|0.097892|6.855752|7.943620|13.738365|36.858105| |2.102325|3.736238|2.376031|2.846987|3.298596|2.977687|2.443730|2.241619|3.972296|1.926135|3.175915|0.076985|3.281651|0.084947|4.361479|0.127209|3.963107|7.568744|4.245306|2.873750|4.389997|2.691699|2.487267|2.175273|2.052127|2.162973|2.471533|5.018110|5.349912|0.115147|0.098679|7.930795|6.883987|7.944460|13.766446|36.858105| |2.232382|4.057153|2.643325|3.192869|3.894507|3.585815|2.843595|2.533873|4.620835|2.194417|3.992742|0.093595|4.281994|0.108940|6.343749|0.180639|5.437913|10.172502|5.393842|3.601217|5.292421|3.246526|2.942335|2.489393|2.315093|2.455607|2.889957|7.561258|6.959304|0.144293|0.122453|13.712749|7.920504|6.860481|7.923909|13.740601|36.858105| |2.018454|3.868340|2.563105|2.885659|3.650318|4.027222|3.248077|2.678745|5.775558|2.665473|5.630151|0.142736|6.395586|0.204276|7.487688|0.153359|5.765550|9.153743|6.126341|4.481289|6.376718|3.462262|3.275406|2.654448|2.353576|2.422003|2.865372|12.399500|10.402888|0.161352|0.215128|7.608757|5.908464|4.274776|3.794990|4.155697|5.597830|36.858105| |1.866226|3.560878|2.324095|2.574838|3.156836|3.456715|2.897347|2.432161|5.224586|2.482407|4.591536|0.118435|5.712269|0.191330|6.625098|0.136056|6.226596|10.516092|6.501916|4.433905|6.296303|3.765244|3.724427|2.965378|2.552238|2.567140|3.012786|7.982962|7.337898|0.121674|0.147742|5.849899|4.588639|3.628526|3.408048|3.846076|5.049034|16.153836|73.516695| |1.940954|3.724100|2.449915|2.721624|3.383149|3.757779|3.109165|2.576742|5.615207|2.607106|5.127043|0.141152|5.055786|0.160140|5.266136|0.119865|4.169779|6.753704|4.811445|3.679444|5.530560|2.845350|2.717312|2.274841|2.046811|2.101561|2.434715|8.054722|9.762282|0.157286|0.250599|6.167731|5.855297|4.248827|3.564785|3.637906|4.495280|14.470326|15.237389|73.516695| |1.698931|3.242410|2.087524|2.265873|2.706123|2.982348|2.596170|2.203238|4.794658|2.312859|3.832504|0.109730|3.892164|0.126046|3.932778|0.092263|3.432927|5.780719|4.096516|3.076289|4.770171|2.534617|2.506938|2.138632|1.909791|1.923411|2.177288|5.130802|6.384217|0.110721|0.154966|4.394473|4.331359|3.490581|3.026983|3.054797|3.566442|8.092713|12.603478|23.532243|36.858105| |17.584049|16.424625|7.034567|6.708122|4.569110|3.723393|3.790372|4.765921|5.393836|2.830733|2.902628|0.073306|2.658413|0.064335|2.660322|0.085534|2.418096|3.924152|3.396622|2.709349|4.932257|2.303475|1.973584|1.827218|1.909984|2.204261|2.479109|2.437577|3.628016|0.080578|0.066615|2.397378|2.284321|2.162014|2.133776|2.218045|2.353452|2.053757|3.397958|3.461686|1.700687|0.500000| |17.673948|16.985109|5.899629|4.903196|3.621898|3.179757|3.424472|4.439297|5.063526|2.772023|2.540350|0.066474|2.298211|0.056950|2.240578|0.069575|2.044407|3.332683|2.889366|2.326942|4.308517|1.978773|1.730976|1.618059|1.685924|1.912584|2.108762|2.099598|3.168543|0.069650|0.059728|2.049590|1.993069|1.892435|1.843486|1.883031|1.983884|1.818928|3.014806|3.125164|1.558532|0.299925|0.500000| |17.583173|16.423727|7.024442|6.706859|4.563943|3.719942|3.786254|4.758955|5.391749|2.802369|2.894977|0.074526|2.536171|0.062166|2.519676|0.079581|2.227988|3.619486|3.069486|2.474681|4.452339|2.048049|1.786420|1.645063|1.688612|1.904815|2.136210|2.411494|3.709988|0.084362|0.069343|2.395481|2.364003|2.245768|2.161970|2.179725|2.289413|2.042085|3.326182|3.525113|1.730489|0.298240|0.299943|0.500000| |7.392962|12.472347|8.846921|17.787845|8.944822|5.627734|4.936171|5.610909|6.521197|3.126503|4.054743|0.097114|3.491008|0.081486|3.608574|0.122431|3.039103|4.819809|4.092871|3.316579|5.723957|2.612991|2.211187|1.980393|2.010728|2.299294|2.687749|3.368948|5.225757|0.123789|0.092059|3.351197|3.187289|2.932791|2.823462|2.924385|3.180744|2.669090|4.268018|4.477476|2.117758|0.221524|0.144957|0.221980|0.500000| |3.930345|7.522332|5.696830|9.058646|17.675861|8.873951|5.627870|4.971084|7.587530|3.323452|6.733657|0.140824|5.411516|0.118162|6.110308|0.230337|4.374581|6.604787|5.472576|4.487751|7.029799|3.195632|2.670908|2.289279|2.241252|2.526592|3.073902|5.832533|9.589212|0.254261|0.147529|5.609119|4.948855|4.091067|3.777020|4.030086|4.849957|4.005723|6.061739|6.481856|2.859242|0.113543|0.089401|0.113369|0.220749|0.500000| |4.907229|13.690132|8.987902|5.658677|4.979901|5.602386|8.885720|17.789253|12.538009|7.391169|4.117475|0.113806|3.485193|0.085290|2.988601|0.089182|2.626354|4.046357|3.923959|3.542851|7.084193|2.574076|2.209886|1.998844|2.034130|2.308740|2.652566|2.723902|4.423993|0.092192|0.083509|2.421793|2.293805|2.043202|1.922599|1.991786|2.223558|2.379520|3.896618|4.105008|2.017553|0.120715|0.122818|0.120550|0.124168|0.107949|0.500000| |3.112272|7.124899|4.605236|3.786915|3.877691|4.862296|7.144390|6.727677|16.452042|17.614393|4.257829|0.124807|3.940562|0.100481|3.115465|0.087755|2.848444|4.318028|4.522811|4.317306|9.699730|3.009676|2.600028|2.336914|2.354307|2.647543|3.047522|2.750176|4.323711|0.084207|0.082948|2.337915|2.160414|1.899458|1.796580|1.891558|2.150381|2.513570|4.226196|4.285210|2.145491|0.082929|0.080604|0.078895|0.087582|0.089804|0.215668|0.500000| |2.560665|5.595056|3.615284|3.183229|3.427360|4.429256|5.888170|4.905699|16.950440|17.672845|4.364017|0.141655|3.959119|0.107830|3.040582|0.082087|2.746603|4.181504|4.253237|4.028329|8.467000|2.788333|2.500337|2.228775|2.177969|2.362611|2.690915|2.796272|4.471233|0.084651|0.089499|2.334644|2.184355|1.900614|1.770881|1.845797|2.103284|2.664730|4.463276|4.670051|2.374688|0.067986|0.066568|0.067379|0.075050|0.082133|0.144955|0.299787|0.500000| |3.090061|7.108150|4.530848|3.683487|3.736982|4.657749|6.915418|6.691409|16.410559|17.599964|4.067667|0.126200|3.461006|0.090209|2.808020|0.078851|2.488412|3.833535|3.745081|3.440938|6.983834|2.460149|2.182475|1.968886|1.958255|2.153080|2.440317|2.626748|4.300570|0.085286|0.085308|2.266709|2.162383|1.903602|1.768178|1.821061|2.044691|2.422067|3.988702|4.284405|2.154170|0.079102|0.080563|0.080865|0.085480|0.086651|0.227149|0.297839|0.299914|0.500000| |1.781418|3.406583|2.154825|2.271643|2.585935|2.804107|2.584080|2.275323|4.724149|2.425663|3.223932|0.083528|4.343625|0.129039|4.373517|0.105315|6.254556|11.232958|9.799924|5.182979|7.948413|8.922396|17.736845|8.899341|5.641410|4.949375|5.637522|3.520393|4.080481|0.074273|0.077281|2.976432|2.467948|2.185172|2.216008|2.560898|3.055835|3.664765|7.761142|5.328103|2.803576|0.051815|0.045788|0.047720|0.059031|0.072995|0.058891|0.069193|0.068646|0.059379|0.500000| |1.576752|2.973926|1.823167|1.883354|2.050527|2.165588|2.070915|1.902498|3.764049|2.018797|2.345743|0.061852|2.880020|0.082187|2.889320|0.074902|3.680992|6.842386|5.681864|3.415336|5.826129|5.665664|8.937759|17.732345|8.908916|5.643300|4.948968|2.450381|2.979471|0.056215|0.057168|2.201478|1.902383|1.745250|1.794025|2.037012|2.301787|2.491961|5.000066|3.842432|2.071953|0.046050|0.041218|0.041919|0.049775|0.057296|0.050412|0.058717|0.057026|0.050354|0.214885|0.500000| |1.664502|3.116123|1.874225|1.909506|2.014035|2.084542|2.035991|1.931452|3.630620|1.987683|2.151077|0.056332|2.548336|0.069505|2.548045|0.069429|3.105891|5.604874|4.921529|3.100416|5.578124|4.972102|5.647890|8.919506|17.727598|8.919796|5.647829|2.144817|2.689456|0.051905|0.051098|1.966234|1.720008|1.598227|1.652349|1.864789|2.068703|2.086393|4.003265|3.273502|1.736262|0.049193|0.043879|0.043604|0.050884|0.055572|0.051725|0.059350|0.055095|0.049942|0.124079|0.214871|0.500000| |2.073429|3.891307|2.336851|2.367069|2.447432|2.491943|2.454330|2.377910|4.247706|2.320828|2.461748|0.063133|2.888264|0.074954|2.878322|0.082059|3.425474|5.888806|5.676904|3.679314|6.865788|5.665416|4.948901|5.643340|8.909598|17.731218|8.936495|2.342217|2.998066|0.058651|0.055776|2.144761|1.865224|1.726249|1.783124|2.018730|2.254392|2.173074|4.036562|3.402406|1.754879|0.062514|0.054340|0.053230|0.062976|0.066517|0.063356|0.071276|0.062454|0.058024|0.107481|0.124075|0.214896|0.500000| |2.620090|5.049342|3.196877|3.325356|3.563996|3.648352|3.474151|3.261360|5.797443|3.005792|3.544285|0.086689|4.368961|0.105337|4.337663|0.128734|5.206037|8.072159|9.773005|6.266160|11.439755|8.920773|5.637080|4.949503|5.642160|8.901687|17.738908|3.221707|4.128300|0.080186|0.073931|2.842744|2.389791|2.149723|2.197631|2.527897|2.951033|2.827200|5.133758|4.308789|2.137076|0.079823|0.066326|0.066939|0.085896|0.095757|0.083201|0.092760|0.078643|0.073150|0.124168|0.107485|0.124096|0.214932|0.500000| |2.227288|4.142268|2.726642|3.217321|3.993822|3.900200|3.094377|2.689392|5.126187|2.379847|4.519969|0.114722|3.946424|0.105689|4.551445|0.122240|3.483562|5.795798|4.008187|3.050049|4.715547|2.426910|2.238895|1.932319|1.807461|1.903337|2.194764|6.909651|9.704722|0.221683|0.212590|8.830034|17.703506|8.987860|5.663740|4.957624|5.622415|5.898278|7.865922|11.862692|4.799965|0.062007|0.055134|0.065455|0.086054|0.130672|0.065577|0.061760|0.063716|0.063214|0.065321|0.050512|0.045631|0.049332|0.062848|0.500000| |2.021988|3.607418|2.277276|2.674655|3.050915|2.811431|2.354249|2.166854|3.866983|1.875446|2.980593|0.076347|2.761181|0.073560|3.216691|0.090943|2.727243|4.802395|3.178296|2.330726|3.697965|2.021343|1.890091|1.678843|1.592551|1.669457|1.877691|4.082509|5.293830|0.121064|0.108088|5.636652|8.941658|17.733681|8.902765|5.647448|4.946811|3.656469|5.583576|6.772985|3.252179|0.056869|0.050654|0.060203|0.075707|0.099513|0.053910|0.049718|0.050067|0.050580|0.054449|0.044278|0.040783|0.043879|0.053742|0.217756|0.500000| |1.929083|3.370059|2.092459|2.461710|2.730513|2.464078|2.089589|1.960280|3.415617|1.684659|2.559365|0.064373|2.519916|0.066443|3.054104|0.088461|2.770275|5.134882|3.178006|2.230891|3.531469|2.073601|1.946960|1.749134|1.669696|1.747940|1.946936|3.543217|4.247362|0.093875|0.082439|4.944244|5.650743|8.914978|17.732780|8.920185|5.641032|3.145993|5.142063|5.350390|2.646337|0.055720|0.048561|0.056637|0.071530|0.089535|0.049066|0.045655|0.044909|0.045086|0.055541|0.046140|0.042903|0.046082|0.055491|0.124613|0.214649|0.500000| |2.004673|3.528895|2.211593|2.615783|2.946625|2.663548|2.234907|2.079183|3.646238|1.794062|2.795172|0.068388|2.941271|0.076424|3.822139|0.112114|3.699739|7.329793|4.030992|2.675502|4.133009|2.636364|2.457097|2.181490|2.071552|2.175740|2.451900|4.098365|4.486830|0.095355|0.083285|5.650048|4.959274|5.647671|8.916751|17.736340|8.944257|3.525835|6.044155|5.493052|2.680886|0.059272|0.050238|0.057349|0.075368|0.097500|0.051780|0.049391|0.047815|0.047148|0.069663|0.056904|0.052577|0.056655|0.069304|0.107633|0.124105|0.214819|0.500000| |2.209323|4.033937|2.622701|3.125901|3.780838|3.541343|2.843764|2.532820|4.650797|2.223442|3.949953|0.092071|4.552091|0.115032|7.116921|0.199960|6.977138|14.313711|6.396334|4.000620|5.759719|3.832961|3.442044|2.861091|2.638678|2.803495|3.347449|7.000799|6.379817|0.126995|0.111248|8.878616|5.630512|4.948855|5.651692|8.945182|17.752345|5.386200|9.336805|7.345552|3.362709|0.065343|0.054712|0.061955|0.085824|0.126720|0.061973|0.061264|0.059339|0.056945|0.098868|0.072654|0.064683|0.070497|0.093773|0.123459|0.107478|0.124352|0.216833|0.500000| |1.664138|3.173339|2.031342|2.189989|2.583774|2.836623|2.505203|2.144271|4.635818|2.253000|3.545509|0.103933|3.424384|0.107650|3.397676|0.082446|2.946097|4.952125|3.596368|2.747241|4.356223|2.255304|2.217234|1.921830|1.739046|1.758556|1.975611|4.357976|5.869898|0.105344|0.147279|3.895896|4.081005|3.364015|2.859252|2.798867|3.168514|5.936557|9.098714|16.820536|17.696557|0.045911|0.042541|0.047368|0.056968|0.075232|0.054846|0.057543|0.064287|0.059108|0.067752|0.051788|0.044239|0.044993|0.054318|0.131364|0.090056|0.070414|0.068388|0.081864|0.500000| |1.659040|3.189467|2.049336|2.191279|2.600987|2.925214|2.599709|2.194306|4.919608|2.397202|3.790530|0.111087|3.991290|0.135741|3.843339|0.089044|3.468540|5.785193|4.257777|3.214500|5.015029|2.652831|2.665321|2.263656|1.998745|1.995070|2.252563|4.648652|5.859791|0.100324|0.138102|3.821138|3.625416|2.982116|2.662319|2.741474|3.212500|7.174103|12.642784|16.371362|17.667198|0.046133|0.042445|0.046544|0.056487|0.074921|0.056260|0.061764|0.069526|0.061400|0.084055|0.061239|0.050393|0.050268|0.060787|0.108899|0.077169|0.065358|0.068138|0.086952|0.297905|0.500000| 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