Version2.4 2021-05-26T22:18:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cc(c(c(c3)Br)OC)OC)C(=O)N(C2=O)C(C)(C)C)C(=O)[O-] C43221692 RHF 6-31G(d) (6D,7F) CC[C@@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cc(c(c(c3)Br)OC)OC)C(=O)N(C2=O)C(C)(C)C)C(=O)[O-] C01[X(C23H31Br1N2O6)] 183 C1 557 CC[C@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)c1cc(Br)c(c(c1)OC)OC)C(=O)[O-])C CC[C@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)c1cc(Br)c(c(c1)OC)OC)C(=O)[O-])C CC[C@@H](C)[C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)c3cc(Br)c(OC)c(OC)c3)C([O-])=O InChIKey=IKDXBAOPMCHJBJ-JXGHGLJESA-N InChI=1S/C23H31BrN2O6/c1-8-11(2)23(21(29)30)16-15(19(27)26(20(16)28)22(3,4)5)17(25-23)12-9-13(24)18(32-7)14(10-12)31-6/h9-11,15-17,25H,8H2,1-7H3,(H,29,30)/t11-,15+,16-,17+,23+/m1/s1 InChI=1/C23H31BrN2O6/c1-8-11(2)23(21(29)30)16-15(19(27)26(20(16)28)22(3,4)5)17(25-23)12-9-13(24)18(32-7)14(10-12)31-6/h9-11,15-17,25H,8H2,1-7H3,(H,29,30)/t11-,15+,16-,17+,23+/m1/s1/f/h25H CC[C@@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cc(c(c(c3)Br)OC)OC)C(=O)N(C2=O)C(C)(C)C)C(=O)[O-] C01[X(C23H31Br1N2O6)] 183 C01 557 CC[C@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)c1cc(Br)c(c(c1)OC)OC)C(=O)[O-])C CC[C@H]([C@@]1([NH2][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)[C]1[CH][C]([C]([C]([CH]1)OC)OC)Br)[C]([O])=O)C CC[C@@H](C)[C@@]1([NH2][C@@H]([C]2[CH][C](Br)[C](OC)[C]([CH]2)OC)[C@@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C([O])=O InChIKey=IGRYYVACHROOFL-JXGHGLJESA-N InChI=1S/C23H31BrN2O6/c1-8-11(2)23(21(29)30)16-15(19(27)26(20(16)28)22(3,4)5)17(25-23)12-9-13(24)18(32-7)14(10-12)31-6/h9-11,15-17H,8,25H2,1-7H3/t11-,15+,16-,17+,23+/m1/s1 InChI=1/C23H31BrN2O6/c1-8-11(2)23(21(29)30)16-15(19(27)26(20(16)28)22(3,4)5)17(25-23)12-9-13(24)18(32-7)14(10-12)31-6/h9-11,15-17H,8,25H2,1-7H3/t11-,15+,16-,17+,23+/m1/s1 4181.5058884992 -4016.9352064 1-A 16727.1057 133 424 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06649 -64.47744 -58.61687 -58.61484 -58.61474 -20.60897 -20.58679 -20.57451 -20.57272 -20.48972 -20.47714 -15.69389 -15.63318 -11.39648 -11.39227 -11.34821 -11.32449 -11.32366 -11.31656 -11.31400 -11.30725 -11.30006 -11.29632 -11.29194 -11.28508 -11.28303 -11.27933 -11.26300 -11.25835 -11.25785 -11.22962 -11.22122 -11.22051 -11.21791 -11.21712 -11.21498 -9.72527 -7.47465 -7.46557 -7.46522 -3.21372 -3.20941 -3.20901 -3.19842 -3.19841 -1.45011 -1.44604 -1.43253 -1.41300 -1.38599 -1.34077 -1.29423 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0.6159 0.7311 0.2259 0.5080 0.7496 0.3449 0.7365 0.3859 0.2216 0.6411 0.5702 0.6586 0.6906 0.3114 0.7327 0.7326 0.5173 0.1534 0.6631 0.4068 0.6491 0.6592 0.6459 0.6472 0.3360 0.3095 0.6441 0.6727 0.1616 0.7256 0.3544 0.5290 0.2091 0.3135 0.7401 0.7035 0.2575 0.7262 0.7157 0.4718 0.3271 0.6098 0.7327 0.6063 0.5857 0.7452 0.3691 0.7146 0.7491 0.7473 0.7442 0.5055 0.7494 0.7489 0.7500 0.7186 0.6758 0.7430 0.6847 0.7157 0.5458 0.7362 0.7499 0.6505 0.2642 0.5183 0.6178 0.5330 0.6466 0.6581 0.4356 0.4833 0.2094 0.0399 0.3903 0.0379 0.0472 0.0445 0.0490 0.0072 0.0493 0.5649 0.7096 0.1803 0.7372 0.2598 0.5033 0.6382 0.4560 0.2167 0.6915 0.7478 0.6704 0.7373 0.6671 0.7497 0.5399 0.4621 0.6656 0.2469 0.2382 0.2589 0.8570 0.8343 0.8506 0.8238 0.8499 0.7725 0.6372 0.8571 0.7620 0.8507 0.8551 0.6121 0.8257 0.5951 0.8554 0.7761 0.6800 0.6229 0.7587 0.5499 0.2582 0.8241 0.6695 0.8540 0.7662 0.5972 0.1086 0.4221 0.7969 0.3649 0.7987 0.4822 0.2904 0.3453 0.4527 0.2886 0.4867 0.8376 0.2805 0.1865 0.7303 0.7196 0.7085 0.7830 0.6142 0.8098 0.8542 0.5848 0.5068 0.7238 0.2715 0.7363 0.7032 0.2184 0.1416 0.3723 0.6695 0.2326 0.7164 0.0431 0.3460 0.2013 0.8086 0.8259 0.6686 0.5415 0.2251 0.2132 0.8140 0.5689 0.8098 0.2579 0.4277 0.8193 0.8554 0.8571 0.7793 0.8456 0.8535 0.6608 0.8072 0.7623 0.8447 0.3686 0.6738 0.8569 0.5129 0.8483 0.5568 0.3628 0.7813 0.7263 0.7942 0.8170 0.4750 0.8457 0.8457 0.6819 0.2660 0.7974 0.5784 0.7872 0.7946 0.7849 0.7859 0.5030 0.4726 0.7835 0.8043 0.2783 0.8410 0.5234 0.6920 0.3458 0.4774 0.8506 0.8259 0.4096 0.8414 0.8343 0.6411 0.4930 0.7576 0.8457 0.7549 0.7387 0.8540 0.5391 0.8335 0.8565 0.8554 0.8533 0.6715 0.8568 0.8564 0.8571 0.8362 0.8065 0.8526 0.8129 0.8343 0.7062 0.8481 0.8571 0.7883 0.4179 0.6827 0.7637 0.6954 0.7854 0.7938 0.6069 0.6516 0.3463 0.0768 0.5615 0.0730 0.0902 0.0852 0.0935 0.0143 0.0939 0.7219 0.8301 0.3056 0.8487 0.4124 0.6696 0.7791 0.6263 0.3562 0.8176 0.8557 0.8027 0.8488 0.8003 0.8569 0.7012 0.6321 0.7993 0.3961 0.3847 0.4113 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 6 6 6 1 6 6 6 1 6 1 6 1 7 1 1 6 6 6 6 6 6 35 8 6 8 6 6 8 7 6 8 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11754.3939 21838.4805 26833.1245 0.99933 0.03315 0.01564 -0.03219 0.99780 -0.05789 -0.01752 0.05734 0.99820 1 0.00737 0.00397 0.00323 0.15354 0.08264 0.06726 20.22 35.21 41.26 44.34 80.48 87.87 99.03 105.43 117.31 125.47 140.71 151.82 170.74 181.45 211.95 222.25 231.57 241.48 272.07 276.22 283.76 313.78 330.71 333.09 361.98 374.78 391.19 402.78 411.24 414.11 439.58 449.26 453.58 487.45 500.82 515.29 544.19 551.44 565.98 576.77 589.70 616.10 636.33 659.11 686.08 691.96 733.84 767.15 806.55 819.33 833.26 871.27 904.63 914.19 975.97 1001.37 1024.35 1073.96 1110.68 1129.14 1166.24 1196.90 1201.35 1246.26 1251.61 1258.47 1288.18 1300.20 1316.53 1368.97 1385.28 1406.05 1422.75 1449.11 1460.08 1467.13 1489.11 1518.38 1532.41 1548.51 1570.68 1573.52 1587.09 1608.69 1639.06 1643.45 1672.90 1675.64 1712.21 1714.14 1766.51 1770.63 1788.82 1802.74 1842.58 1855.51 1862.74 1871.61 1887.40 1890.99 1905.42 1919.35 1923.91 1942.51 1983.38 1984.67 2001.05 2034.48 2041.75 2044.07 2070.00 2090.57 2104.82 2123.21 2136.13 2158.99 2175.53 2178.29 2184.68 2223.00 2241.99 2242.58 2251.38 2255.17 2258.51 2276.78 2295.01 2300.54 2326.54 2338.20 2347.68 2348.76 2360.56 2363.28 2363.83 2370.32 2372.10 2373.66 2375.82 2379.16 2379.71 2389.23 2391.54 2399.52 2406.58 2424.66 2547.40 2595.66 2652.19 2828.04 2864.92 2965.32 4507.33 4587.99 4594.87 4614.10 4619.75 4623.09 4623.30 4631.97 4643.88 4654.56 4682.76 4703.03 4704.87 4705.47 4713.67 4715.32 4723.50 4726.26 4734.15 4748.28 4753.71 4767.06 4788.24 4797.86 4799.76 4801.18 4803.48 4810.55 4885.40 4916.66 5427.99 0.563275 0.594476 0.595420 0.499073 -4016.371931 -4016.340730 -4016.339786 -4016.436133 3.231494D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC[C@@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cc(c(c(c3)Br)OC)OC)C(=O)N(C2=O)C(C)(C)C)C(=O)[O-] C43221692 RHF 6-31G(d) (6D,10F) C1 510.136548 |X|Y|Z| 68.876805 99.926606 44.700519 67.508050 14 6 7 12 2 |36.858105| |12.444193|36.858105| |7.417382|12.377345|36.858105| |6.813979|8.934167|17.440563|0.500000| |6.338681|7.500794|12.369920|0.247037|36.858105| |4.816151|7.375676|12.284855|0.246502|7.528659|36.858105| |4.089733|5.936411|7.102997|0.180214|4.784678|12.375234|36.858105| |3.399069|4.641004|5.388791|0.135631|4.111391|9.023483|17.489385|0.500000| |3.655560|4.771435|5.913295|0.179812|4.228136|7.913758|12.655862|0.251536|36.858105| |4.165397|5.310881|6.593263|0.229932|4.516584|7.207369|8.969894|0.176043|17.505781|0.500000| |3.219922|4.017718|5.377265|0.161098|4.329910|7.395723|7.995371|0.205938|12.460190|0.248375|36.858105| |3.085189|3.662459|4.848713|0.155433|4.093596|5.739719|5.783187|0.145961|8.787207|0.226975|17.638830|0.500000| |3.758353|4.880997|7.576244|0.204056|6.236042|12.195407|8.210798|0.203544|8.223940|0.198936|12.553137|0.251769|53.358707| |3.890418|4.783964|7.743518|0.227342|7.171337|8.938438|6.096577|0.148477|6.502205|0.180105|9.126794|0.242944|25.828504|0.500000| |3.346352|4.249544|6.067977|0.153130|5.676653|9.446714|6.684688|0.190833|6.096035|0.145507|8.754972|0.187433|25.083286|0.323970|0.500000| |2.611332|3.169361|3.923275|0.111340|3.400446|5.276973|5.948447|0.186356|7.339352|0.152630|12.538370|0.249332|10.169258|0.163537|0.201201|36.858105| |2.284096|2.675064|3.173274|0.092470|2.797544|3.907690|4.452415|0.133348|5.711712|0.129320|7.701241|0.203286|6.847896|0.122630|0.133319|13.622982|36.858105| |1.981484|2.285990|2.631847|0.075159|2.382859|3.177948|3.564262|0.109699|4.164932|0.097845|5.064296|0.133969|5.247837|0.095917|0.107561|7.896511|13.838085|36.858105| |1.909321|2.213448|2.530841|0.070305|2.330869|3.105562|3.418192|0.109628|3.691258|0.086504|4.421875|0.111883|5.005573|0.090343|0.108227|6.823073|7.909317|13.541998|36.858105| |2.089256|2.470628|2.867985|0.077732|2.648152|3.676121|3.975446|0.133942|4.052036|0.092808|4.987793|0.118724|5.965692|0.103757|0.136590|7.977482|6.931679|7.967779|13.855691|36.858105| |2.459640|2.994226|3.625596|0.097614|3.264303|4.990874|5.370064|0.187183|5.444154|0.118555|7.435334|0.158968|8.748287|0.140555|0.206838|13.823380|7.928249|6.831110|7.859346|13.656983|36.858105| |1.895999|2.214709|2.496643|0.066020|2.382167|3.107904|3.229029|0.107614|3.077550|0.073391|3.532817|0.086379|4.684350|0.084002|0.110062|4.621357|4.108201|4.600768|6.733101|10.085388|6.722762|2539.412838| |1.688265|1.926455|2.154904|0.059682|2.012902|2.568437|2.794467|0.088153|2.952699|0.071310|3.370436|0.087488|3.988323|0.073734|0.086084|4.604779|5.245567|8.005023|14.155431|8.014348|5.206906|212.397181|73.516695| |1.566396|1.760989|1.974064|0.054862|1.884197|2.299601|2.420948|0.074518|2.560686|0.063411|2.959740|0.079218|3.600751|0.068300|0.078106|3.846739|4.331623|6.025754|8.138661|5.866560|4.241411|177.396136|23.975890|36.858105| |1.778866|2.010606|2.267049|0.065279|2.071615|2.635587|2.930872|0.087700|3.410005|0.083613|3.904845|0.108220|4.210484|0.079432|0.085262|5.193724|7.918814|14.208572|8.193413|5.319423|4.615737|125.904203|12.767757|5.995136|73.516695| |1.777328|1.985482|2.221321|0.065192|2.013332|2.515639|2.812451|0.081365|3.384443|0.085503|3.735198|0.107933|3.974840|0.076397|0.078076|4.514589|6.742562|8.028512|5.256460|4.004462|3.794680|100.563819|8.379034|4.215907|24.127969|36.858105| |3.097087|3.845356|4.215070|0.125020|3.221628|5.132308|8.036987|0.198439|12.626883|0.255579|6.994593|0.162925|6.885800|0.119626|0.118780|5.916241|5.440866|4.209207|3.655805|3.801610|4.645188|99.252205|5.321796|2.539259|6.361868|3.652682|36.858105| |2.653353|3.142262|3.431716|0.103087|2.764431|3.999297|5.440822|0.144375|7.909317|0.185877|5.897625|0.151164|5.710941|0.103251|0.101608|5.546510|5.918117|4.633657|3.794426|3.705343|4.273643|95.340998|5.575251|2.652013|7.291067|4.415517|16.019332|73.516695| |3.285326|4.173069|4.189331|0.118202|3.157400|4.999520|8.188527|0.200460|8.251017|0.193775|5.122266|0.120303|5.920451|0.103749|0.105838|4.493633|4.037827|3.385784|3.125067|3.326830|3.950844|92.864779|4.716399|2.263668|5.239304|2.956975|13.703886|14.580434|53.358707| |4.020956|5.636583|5.423433|0.142185|3.836893|6.773282|12.577928|0.259847|8.137624|0.196118|5.199477|0.118320|6.811249|0.116824|0.121487|4.347087|3.646449|3.070507|2.940097|3.273480|4.017134|94.516764|4.439875|2.161605|4.685065|2.583896|8.181377|9.730518|18.346768|36.858105| |4.235159|5.896222|4.968461|0.125423|3.652780|5.619387|7.790513|0.183396|5.488734|0.144114|4.008716|0.095180|5.563829|0.099280|0.103077|3.474022|2.985439|2.602554|2.540563|2.820898|3.341624|85.415678|3.937128|1.941532|4.053557|2.235414|5.523579|7.430940|11.256338|16.119776|73.516695| |2.826404|3.385452|3.240966|0.091067|2.577867|3.637925|5.060470|0.133905|5.034427|0.129240|3.681535|0.091210|4.405772|0.080130|0.081735|3.436333|3.270033|2.905982|2.714210|2.809208|3.141598|81.674069|4.260740|2.056809|4.694060|2.684744|7.343074|11.111668|17.192175|7.503519|11.749315|36.858105| |2.379796|2.748237|2.721725|0.078095|2.240975|3.026452|3.975860|0.108524|4.323780|0.111604|3.386048|0.086713|3.905728|0.072143|0.073099|3.298841|3.351722|3.051499|2.774862|2.748436|2.966210|78.820267|4.419857|2.125479|5.107521|3.010071|6.487501|12.309601|10.291766|4.953944|7.732991|12.414994|36.858105| |2.580320|3.092593|2.928698|0.079315|2.400458|3.351483|4.491797|0.128484|4.072906|0.102026|3.212011|0.078623|4.005029|0.072400|0.077073|3.139358|2.945535|2.722060|2.654175|2.792505|3.043509|84.744057|4.248862|2.038022|4.388451|2.434564|5.218082|8.114882|10.486442|6.353942|11.312429|12.405816|7.677117|36.858105| |3.038400|3.503305|3.172959|0.090182|2.528997|3.316046|4.262617|0.107176|4.225807|0.118562|3.165733|0.081100|3.944312|0.074011|0.072703|2.854973|2.719504|2.420138|2.262365|2.340166|2.613470|69.585365|3.599242|1.781679|3.976038|2.306113|5.370059|8.388591|10.491919|6.168667|11.121994|12.415746|7.646347|7.512537|36.858105| |4.061321|5.704199|7.281972|0.150724|6.508502|12.091012|7.418594|0.208784|5.092029|0.126742|5.196700|0.117284|10.456688|0.172579|0.241112|4.492403|3.387883|2.923529|3.018587|3.718434|4.874351|116.170007|4.528207|2.293692|4.324160|2.263817|3.902520|5.708267|5.401513|5.204097|8.562316|3.118989|2.629606|3.079565|2.833401|36.858105| |4.258945|6.022382|6.329277|0.131040|5.705706|8.102126|6.179030|0.171212|4.263313|0.109575|4.058399|0.095133|7.216965|0.127990|0.155586|3.603896|2.868393|2.538687|2.627910|3.153212|3.880245|102.709537|4.050114|2.056616|3.844488|2.030423|3.508003|5.163371|5.144341|5.106446|9.277301|3.089010|2.553455|3.143408|2.869780|15.771363|73.516695| |3.319321|4.265698|5.473703|0.125180|5.487177|8.072415|5.776695|0.176456|4.534545|0.111196|5.188306|0.118364|10.444613|0.174186|0.308954|4.860202|3.587386|3.143478|3.343184|4.293477|5.720856|136.868381|4.972066|2.542570|4.578577|2.344757|3.541780|5.381430|4.688684|4.161987|6.734452|2.767988|2.422032|2.746151|2.485876|15.331109|15.119956|73.516695| |17.561016|8.845797|5.455838|0.141979|4.721297|4.027618|3.655925|0.086179|3.265855|0.101657|2.836729|0.075333|4.348288|0.089946|0.080348|2.363189|2.098458|1.843708|1.781502|1.935503|2.242200|60.373453|2.827280|1.473562|2.969057|1.673479|2.896846|4.450906|4.301575|3.821323|7.491232|2.819096|2.358976|2.597559|3.129173|3.532170|6.791199|5.191225|0.500000| 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|8.810384|17.624024|8.863860|0.174998|6.719640|6.863024|5.560648|0.128701|4.211380|0.121977|3.649492|0.090768|6.090296|0.118389|0.114452|3.013373|2.530820|2.203212|2.176495|2.460278|2.954216|77.072151|3.391974|1.741718|3.439138|1.886859|3.507617|5.134923|5.311805|5.383530|10.737739|3.244446|2.619195|3.104435|3.304099|6.344734|13.737928|8.068255|0.209374|0.211873|0.172221|0.500000| |8.952081|17.627141|8.853532|0.217850|5.492934|6.763688|6.602632|0.137602|5.317186|0.167678|4.107737|0.103194|6.284455|0.121670|0.110018|3.240481|2.771797|2.358942|2.260193|2.494627|3.008857|75.108717|3.494146|1.778544|3.701407|2.073952|4.461835|6.307815|6.961297|7.220762|13.849934|4.086513|3.186551|3.608824|4.357542|5.045217|9.390526|6.870304|0.221069|0.173755|0.208218|0.305755|0.500000| 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|2.634523|3.268375|4.002136|0.103229|3.655457|5.799894|5.785132|0.209003|5.209313|0.115715|6.712763|0.142351|9.673058|0.150259|0.262165|8.828106|5.610593|4.933741|5.644832|8.965357|17.748177|223.971923|7.525771|3.604263|6.514841|3.132808|4.275211|6.712459|5.243044|4.179672|6.305546|3.057233|2.792075|3.022329|2.584802|6.303018|8.457487|14.487995|0.066300|0.070382|0.070496|0.091587|0.089369|0.110972|0.084954|0.098491|0.123638|0.500000| |1.591338|1.790200|2.021666|0.055750|1.957312|2.361467|2.430572|0.074988|2.530054|0.062780|2.972895|0.079239|3.725232|0.070881|0.082586|3.835970|4.077610|5.247265|7.210902|6.107045|4.410844|202.561996|16.442034|17.585525|8.601272|3.607854|2.445999|4.448450|2.990367|2.140209|3.433009|1.978256|2.007607|1.967681|1.726474|2.399296|3.800615|4.829594|0.041415|0.043142|0.043910|0.049415|0.049734|0.058810|0.049795|0.052793|0.095423|0.106716|0.500000| |1.450184|1.619360|1.790409|0.049644|1.712678|2.061639|2.174709|0.066620|2.275701|0.056887|2.559614|0.068591|3.155169|0.060157|0.068061|3.206284|3.558057|4.702843|5.918329|4.634289|3.509390|154.081426|16.902088|17.649674|8.757705|3.700736|2.288111|4.253543|2.824976|1.979872|3.198538|1.921233|1.996690|1.923571|1.673463|2.069941|3.350391|4.034655|0.038139|0.039106|0.040094|0.044670|0.045512|0.050575|0.044008|0.046263|0.086469|0.085572|0.299662|0.500000| |1.558275|1.740013|1.959137|0.055114|1.870369|2.254584|2.366005|0.071534|2.563427|0.064142|2.990050|0.082146|3.578212|0.068774|0.076412|3.836689|4.544834|6.380374|7.187286|5.106187|3.982122|143.990533|16.422054|17.597911|12.508215|4.884457|2.539275|4.790352|3.033953|2.110960|3.357275|2.022172|2.109601|1.969487|1.764203|2.204431|3.503626|4.310744|0.040640|0.041910|0.043495|0.047374|0.048859|0.055844|0.048108|0.049748|0.109836|0.093283|0.298141|0.299560|0.500000| |1.619218|1.789390|1.974378|0.057652|1.807388|2.204911|2.441578|0.070532|2.856750|0.073327|3.083365|0.088661|3.412442|0.066168|0.067588|3.619899|4.916409|5.900277|4.427167|3.430466|3.188768|91.124493|7.665253|4.012612|16.999585|17.655841|3.095141|6.534194|3.536508|2.286523|3.578973|2.426541|2.745684|2.230932|2.112480|2.014099|3.252462|3.702514|0.042637|0.042541|0.046160|0.047477|0.051843|0.052490|0.047377|0.047072|0.146853|0.075124|0.094013|0.102022|0.130320|0.500000| |1.873695|2.106037|2.335334|0.068858|2.074532|2.651099|3.058705|0.087906|3.763441|0.094493|3.952795|0.112522|4.109761|0.078135|0.079301|4.643517|6.810469|7.175136|4.854762|3.881022|3.807452|97.591847|7.561285|3.653776|16.443702|17.580025|4.306405|9.905323|4.629309|2.866009|4.357178|3.103084|3.598700|2.749911|2.618317|2.346770|3.761220|4.243010|0.049187|0.048558|0.053526|0.055347|0.061972|0.059792|0.053948|0.053538|0.224448|0.087897|0.088739|0.090649|0.111417|0.299420|0.500000| |1.821086|2.019050|2.286932|0.067996|2.088458|2.553887|2.790219|0.079187|3.418214|0.088265|3.888183|0.117977|4.125311|0.080929|0.080242|4.522674|6.674251|6.929867|4.672857|3.747342|3.689091|94.723210|7.284561|3.855546|16.421258|17.558310|3.542975|7.477333|3.869305|2.523920|3.882774|2.543007|2.793009|2.280755|2.229762|2.270984|3.595775|4.192765|0.047318|0.047766|0.052428|0.052847|0.058188|0.061413|0.054676|0.053472|0.227656|0.085465|0.095136|0.093225|0.126271|0.300177|0.298614|0.500000| |2.230008|2.590055|2.630706|0.074987|2.193917|3.005324|3.951867|0.112794|4.331788|0.107178|3.526955|0.089418|3.982142|0.072781|0.075535|3.614155|3.764926|3.506095|3.176395|3.089287|3.265743|87.117149|5.054267|2.376714|5.871333|3.419986|6.520496|13.278503|9.285517|4.626993|7.068368|8.710741|17.624293|6.945502|5.512018|2.651628|4.516590|4.425460|0.060744|0.055860|0.061923|0.069196|0.081599|0.059664|0.056577|0.058026|0.106629|0.083567|0.061621|0.061936|0.065228|0.086157|0.115839|0.085630|0.500000| |2.187336|2.477436|2.411324|0.068637|2.022833|2.632786|3.325088|0.091413|3.492990|0.091976|2.843492|0.073644|3.379544|0.063162|0.064107|2.794295|2.842496|2.657859|2.461739|2.432543|2.575399|71.845064|4.014617|1.951541|4.531527|2.664225|4.755709|8.874713|7.564309|4.107036|6.817372|8.980171|17.566293|7.197232|7.065802|2.346206|4.115139|3.855552|0.061054|0.054471|0.060706|0.066328|0.079076|0.054125|0.052994|0.053895|0.081352|0.068073|0.051225|0.051551|0.053665|0.069080|0.086739|0.068680|0.301693|0.500000| |2.398583|2.724946|2.726270|0.080179|2.245263|2.962968|3.801661|0.100675|4.393587|0.118021|3.443299|0.090842|3.904168|0.073253|0.072022|3.275654|3.405240|3.043661|2.692233|2.631920|2.858700|74.523263|4.271416|2.082042|5.170288|3.154225|6.582528|13.753127|9.158221|4.536913|7.002578|8.696549|17.643545|5.521962|6.980752|2.520416|4.303714|4.145822|0.065727|0.059124|0.068083|0.070730|0.087655|0.060386|0.058948|0.058493|0.101963|0.074144|0.054562|0.054126|0.058213|0.079679|0.106327|0.082508|0.302118|0.301844|0.500000| |2.796924|3.405795|3.121174|0.082468|2.547815|3.556630|4.686821|0.132908|3.957565|0.100260|3.137238|0.076299|4.075438|0.073627|0.078911|3.010754|2.748040|2.527666|2.502959|2.694515|2.975554|83.678457|4.004811|1.941457|4.040075|2.221386|4.671930|7.019152|9.386431|6.930827|14.325421|8.704419|5.526314|17.655078|6.832189|3.342781|6.285352|5.167692|0.079006|0.069241|0.072942|0.097534|0.111010|0.066181|0.064618|0.070453|0.074041|0.084485|0.052705|0.050877|0.051924|0.056583|0.068487|0.058505|0.140620|0.145685|0.122406|0.500000| |2.321838|2.695956|2.536924|0.069204|2.127066|2.822085|3.586753|0.101778|3.356675|0.086375|2.741668|0.068670|3.437134|0.063252|0.066591|2.703054|2.597010|2.447552|2.387786|2.468641|2.628122|76.260595|3.905191|1.892062|4.038762|2.261044|4.197103|6.918114|7.598907|4.739058|8.694658|8.864073|7.157897|17.565302|6.843552|2.629302|4.796545|4.230637|0.065696|0.058041|0.062209|0.075195|0.086191|0.056163|0.054948|0.058152|0.071147|0.072166|0.050541|0.050147|0.050899|0.058475|0.070717|0.058703|0.175767|0.223703|0.144588|0.302093|0.500000| |2.408797|2.898990|2.841033|0.076591|2.360831|3.361540|4.526570|0.138399|4.114739|0.099220|3.354623|0.080981|4.122648|0.073547|0.080677|3.430081|3.224036|3.036246|3.010517|3.174378|3.399710|96.068174|4.815439|2.260815|4.843652|2.631665|5.270632|8.376847|9.578086|5.824291|9.694539|8.791736|6.975213|17.553390|5.477306|3.155711|5.624488|5.116025|0.066345|0.060595|0.064256|0.081356|0.091399|0.063157|0.059664|0.064468|0.085500|0.092739|0.060311|0.059233|0.060055|0.066757|0.082575|0.067423|0.207801|0.175129|0.141326|0.300540|0.301722|0.500000| 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