Version2.1 2020-12-27T07:28:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)c1ccc(cc1)OC)OC(=O)[C@H]2CC(=O)N(C2)NC(=O)c3ccc(cc3)[N+](=O)[O-] C13857228 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)c1ccc(cc1)OC)OC(=O)[C@H]2CC(=O)N(C2)NC(=O)c3ccc(cc3)[N+](=O)[O-] C01[X(C22H21N3O8)] 156 C1 537 COc1ccc(cc1)C(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C COc1ccc(cc1)C(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C COc1ccc(cc1)C(=O)[C@H](C)OC(=O)[C@@H]2CN(NC(=O)c3ccc(cc3)[N+]([O-])=O)C(=O)C2 InChIKey=IQZCCAHVEYQBIZ-BBRMVZONSA-N InChI=1S/C22H21N3O8/c1-13(20(27)14-5-9-18(32-2)10-6-14)33-22(29)16-11-19(26)24(12-16)23-21(28)15-3-7-17(8-4-15)25(30)31/h3-10,13,16H,11-12H2,1-2H3,(H,23,28)/t13-,16-/m0/s1 InChI=1/C22H21N3O8/c1-13(20(27)14-5-9-18(32-2)10-6-14)33-22(29)16-11-19(26)24(12-16)23-21(28)15-3-7-17(8-4-15)25(30)31/h3-10,13,16H,11-12H2,1-2H3,(H,23,28)/t13-,16-/m0/s1/f/h23H C[C@@H](C(=O)c1ccc(cc1)OC)OC(=O)[C@H]2CC(=O)N(C2)NC(=O)c3ccc(cc3)[N+](=O)[O-] C01[X(C22H21N3O8)] 156 C01 537 COc1ccc(cc1)C(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C CO[C]1[CH][CH][C]([CH][CH]1)C(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C1)NC(=O)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])C CO[C]1[CH][CH][C]([CH][CH]1)C(=O)[C@H](C)OC(=O)[C@@H]2CN(NC(=O)[C]3[CH][CH][C]([CH][CH]3)N([O])[O])C(=O)C2 InChIKey=IQZCCAHVEYQBIZ-BBRMVZONSA-N InChI=1S/C22H21N3O8/c1-13(20(27)14-5-9-18(32-2)10-6-14)33-22(29)16-11-19(26)24(12-16)23-21(28)15-3-7-17(8-4-15)25(30)31/h3-10,13,16H,11-12H2,1-2H3,(H,23,28)/t13-,16-/m0/s1 InChI=1/C22H21N3O8/c1-13(20(27)14-5-9-18(32-2)10-6-14)33-22(29)16-11-19(26)24(12-16)23-21(28)15-3-7-17(8-4-15)25(30)31/h3-10,13,16H,11-12H2,1-2H3,(H,23,28)/t13-,16-/m0/s1/f/h23H 3034.0821909248 -1607.4818203 1-A 35665.7541 119 418 537 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0.8558 0.8482 0.8414 0.8567 0.7788 0.8272 0.8556 0.6505 0.7603 0.8563 0.5183 0.2876 0.5655 0.8141 0.8398 0.2214 0.7145 0.8242 0.8416 0.3894 0.6515 0.8566 0.8440 0.7392 0.8540 0.8568 0.8192 0.1223 0.6073 0.5022 0.3533 0.5839 0.6690 0.3227 0.8023 0.7268 0.7703 0.8421 0.8138 0.6173 0.6208 0.3029 0.8571 0.8549 0.8029 0.4802 0.1781 0.5288 0.1263 0.7639 0.6939 0.4606 0.8070 0.1816 0.4165 0.8571 0.8492 0.5042 0.1017 0.3792 0.7920 0.2662 0.1639 0.1663 0.3566 0.3139 0.8228 0.6270 0.8348 0.7100 0.6342 0.5236 0.6953 0.7210 0.6163 0.8426 0.2499 0.6545 0.8552 0.3687 0.8485 0.4894 0.2481 0.4067 0.8571 0.8494 0.2106 0.6098 0.8546 0.3387 0.3589 0.8571 0.5026 0.8257 0.2128 0.6609 0.8566 0.4333 0.7390 0.7992 0.6744 0.6752 0.6929 0.7689 0.8571 0.6500 0.8568 0.5432 0.7211 0.8478 0.8379 0.7670 0.3499 0.3798 0.8571 0.7725 0.4136 0.8288 0.7600 0.8414 0.7402 0.8565 0.6224 0.6121 0.6811 0.4310 0.5093 0.3522 0.4116 0.0492 0.0650 0.3481 0.4031 0.1673 0.8571 0.8522 0.8550 0.8431 0.1218 0.6249 0.6563 0.4973 0.6688 0.6101 0.5727 0.2878 0.2934 0.3380 0.3957 0.2925 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 6 6 1 6 8 6 6 6 6 6 6 8 6 8 6 8 6 1 6 6 8 7 6 7 6 8 6 6 6 6 6 6 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 2679.3961 64960.3725 66497.8917 0.99999 0.00385 -0.00071 -0.00385 0.99995 -0.00920 0.00067 0.00920 0.99996 1 0.03233 0.00133 0.00130 0.67356 0.02778 0.02714 11.40 15.76 21.26 33.65 49.21 55.88 67.63 82.36 90.69 102.72 106.69 123.74 129.22 155.42 171.96 192.92 196.01 248.93 286.07 320.28 333.07 348.79 360.66 384.67 398.13 428.29 431.67 480.00 486.07 509.10 530.49 563.34 577.16 639.84 661.59 667.35 668.94 721.50 741.15 752.28 770.43 808.74 818.90 828.76 856.41 914.59 917.03 958.94 988.98 1002.55 1052.33 1086.50 1093.75 1108.15 1149.25 1161.97 1196.25 1204.61 1217.47 1268.62 1273.78 1308.20 1325.43 1376.40 1380.37 1380.97 1385.62 1387.79 1421.62 1448.49 1467.87 1533.84 1551.73 1592.82 1603.31 1606.93 1608.99 1618.19 1619.23 1656.17 1674.72 1696.88 1698.87 1720.23 1732.86 1747.00 1755.26 1784.29 1790.41 1810.28 1861.41 1863.34 1871.37 1879.53 1890.62 1901.71 1926.68 1929.34 1958.21 1980.53 2002.70 2016.26 2058.38 2079.63 2091.54 2098.69 2101.58 2120.19 2136.56 2221.78 2247.18 2248.18 2258.38 2280.02 2285.26 2321.68 2347.02 2357.94 2365.31 2365.49 2376.11 2386.33 2408.59 2423.22 2441.90 2446.29 2540.48 2549.63 2602.79 2610.37 2691.95 2841.36 2861.72 2877.87 2898.61 4625.87 4641.44 4649.65 4662.91 4700.21 4720.85 4744.41 4756.76 4773.62 4785.71 4786.10 4802.02 4872.15 4874.71 4884.12 4907.43 4910.35 4916.50 4952.54 4953.19 5593.39 0.449761 0.478381 0.479325 0.382952 -1607.032060 -1607.003439 -1607.002495 -1607.098869 3.232400D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE C[C@@H](C(=O)c1ccc(cc1)OC)OC(=O)[C@H]2CC(=O)N(C2)NC(=O)c3ccc(cc3)[N+](=O)[O-] C13857228 RHF 6-31G(d) (6D,10F) C1 455.132865 |X|Y|Z| 184.047526 36.224527 21.908461 52.664123 23 6 7 8 20 2 1 |36.858105| |12.477528|36.858105| |8.839747|17.674671|0.500000| |7.567030|12.455539|0.244691|36.858105| |5.849057|8.057359|0.167568|15.965919|73.516695| |5.761225|7.327974|0.190662|12.767027|14.446741|36.858105| |4.244039|4.931709|0.127630|7.690809|12.210140|13.598547|36.858105| |3.445172|3.802276|0.103354|5.075817|8.173581|7.890109|13.897455|36.858105| |3.361658|3.637072|0.103785|4.443671|6.803381|6.812307|7.942498|13.630263|36.858105| |3.968587|4.325013|0.129823|4.993612|7.109178|7.867940|6.873972|7.912876|13.736265|36.858105| |5.385943|6.311524|0.192880|7.486176|9.380419|13.740947|7.972586|6.896577|7.947482|13.724800|36.858105| |2.747231|2.902214|0.082963|3.388919|5.404083|4.609471|5.317420|8.217408|14.224711|7.893913|5.213958|73.516695| |2.532766|2.633960|0.076890|2.922410|4.631122|3.779748|3.991724|5.255739|8.015373|6.727242|4.516477|24.149307|36.858105| |7.909371|13.422372|0.260464|8.050652|13.049483|5.101246|3.942176|3.127744|2.943204|3.332208|4.396263|4.337508|2.231687|73.516695| |6.051438|8.072681|0.214200|5.346799|8.734640|3.973146|3.182912|2.654145|2.571252|2.929366|3.704276|3.883230|2.044952|25.634259|36.858105| |5.760870|7.078368|0.223989|4.669901|7.261256|3.762883|2.988627|2.561558|2.558677|2.988082|3.745188|3.888935|2.086506|15.241298|16.017485|73.516695| |4.313909|5.184775|0.135032|4.123595|7.379466|3.188611|2.713780|2.299752|2.199133|2.424153|2.932332|3.392433|1.787144|14.522695|12.629863|14.145346|36.858105| |3.838858|4.829970|0.127471|4.142502|7.644565|3.220993|2.785605|2.353532|2.227720|2.426832|2.917036|3.437842|1.799347|12.936730|9.102486|11.299613|17.546738|0.500000| |4.119879|4.509628|0.110582|3.793623|7.142368|2.935473|2.571992|2.179175|2.054036|2.220269|2.647238|3.191113|1.671884|11.799127|7.421407|9.523348|12.370305|0.246642|36.858105| |3.160466|3.360057|0.086364|2.925215|5.453730|2.389571|2.142848|1.863178|1.772586|1.900805|2.205223|2.802696|1.483607|7.861516|5.100423|7.492835|7.925099|0.183596|12.593000|36.858105| |2.763036|2.864951|0.073535|2.574057|4.851319|2.144272|1.959870|1.719981|1.631346|1.729766|1.978266|2.602189|1.378049|6.381619|3.916534|5.970802|5.340911|0.133811|7.818098|15.987587|73.516695| |2.981640|3.228307|0.086406|2.765947|5.015073|2.303611|2.049924|1.801273|1.737113|1.879727|2.171650|2.756304|1.472384|7.404183|5.211124|8.121942|8.257165|0.191878|8.212287|13.901554|14.909081|53.358707| |3.469680|3.889429|0.107217|3.169050|5.561380|2.613469|2.263880|1.977922|1.926466|2.123808|2.494903|3.026956|1.621398|9.167766|7.489388|11.943114|12.422946|0.245737|7.848496|8.023878|9.659884|17.837856|36.858105| |2.508396|2.652200|0.072089|2.315400|4.172134|1.986113|1.790165|1.599083|1.553503|1.673322|1.898898|2.494512|1.343444|5.745519|3.892901|6.479564|5.248060|0.131045|5.283254|8.060842|12.338808|18.992076|7.754128|53.358707| |2.421669|2.472710|0.067220|2.146826|3.830833|1.862737|1.680293|1.511826|1.477958|1.594679|1.798562|2.384234|1.291360|5.199948|3.466737|5.956965|4.294486|0.104391|4.496216|6.278359|10.612591|10.986655|5.889191|18.947677|36.858105| |2.665083|2.653682|0.071981|2.255812|3.978037|1.951988|1.744235|1.566759|1.538363|1.672120|1.895605|2.473833|1.342533|5.540677|3.727903|6.523820|4.416910|0.102822|4.664173|5.965623|9.723924|9.563464|5.910118|11.534770|15.955983|73.516695| |2.037497|2.069572|0.056508|1.838989|3.291824|1.625328|1.486271|1.352240|1.324230|1.417422|1.575853|2.157118|1.172949|4.232827|2.727471|4.736583|3.240509|0.082401|3.388894|4.448286|8.190853|7.047783|4.100490|10.693197|12.685165|14.321495|36.858105| |1.903268|1.910470|0.052662|1.696486|3.005477|1.519809|1.390429|1.275720|1.259155|1.350730|1.490502|2.061976|1.129058|3.818335|2.447886|4.361333|2.783018|0.070827|2.844891|3.480660|6.271160|5.411125|3.453891|7.240402|7.684556|11.716465|13.711335|36.858105| |1.674245|1.679304|0.046321|1.513624|2.689323|1.370299|1.265264|1.168989|1.154261|1.230575|1.345491|1.902631|1.043998|3.312531|2.083438|3.707698|2.334575|0.060595|2.391346|2.857446|5.247347|4.301344|2.789765|5.461852|5.068447|7.984471|7.932448|13.795569|36.858105| |1.579868|1.594766|0.043755|1.455557|2.609806|1.317650|1.225867|1.132720|1.112530|1.178131|1.285129|1.837017|1.004577|3.155127|1.960311|3.438408|2.220293|0.058537|2.303772|2.781065|5.247308|4.101027|2.599775|5.179382|4.491041|6.826943|6.950746|8.016884|13.767204|36.858105| |1.650217|1.679273|0.045756|1.538826|2.784115|1.381549|1.287428|1.183029|1.154446|1.219086|1.335637|1.899952|1.033297|3.366623|2.087587|3.600131|2.422036|0.064300|2.555449|3.189927|6.198143|4.660204|2.828371|6.033902|5.023739|7.199572|7.926923|6.844934|7.864304|13.796752|36.858105| |1.868584|1.911030|0.051863|1.732486|3.139541|1.535552|1.420183|1.294239|1.259732|1.336068|1.477682|2.059113|1.115932|3.902905|2.456042|4.192765|2.936206|0.076987|3.132923|4.136830|8.109154|6.187349|3.532027|8.775725|7.542884|9.591871|13.717266|7.909997|6.845608|8.017453|13.764913|36.858105| |1.410299|1.420993|0.039053|1.309807|2.348920|1.196855|1.121013|1.042452|1.025175|1.080818|1.170042|1.702363|0.933117|2.777803|1.704593|2.998210|1.899715|0.050591|1.963512|2.305053|4.339558|3.342040|2.172028|4.029385|3.340631|5.295886|4.534093|5.134581|7.777784|13.040730|7.788773|5.134710|53.358707| |1.357046|1.360809|0.037554|1.252737|2.234611|1.151436|1.077984|1.006452|0.994003|1.049397|1.132016|1.654938|0.910604|2.636662|1.616940|2.870555|1.776041|0.047170|1.820086|2.097904|3.895880|3.046760|2.024970|3.609480|3.007028|4.914953|3.911937|4.687618|7.095393|8.378563|5.429392|4.098182|21.737951|73.516695| |1.345865|1.360942|0.037294|1.265218|2.281326|1.157358|1.089944|1.014323|0.994208|1.043258|1.126996|1.653563|0.904464|2.660536|1.618868|2.826503|1.809039|0.048641|1.880328|2.203035|4.192197|3.151240|2.038136|3.741415|2.999152|4.738282|3.911614|4.097676|5.423543|8.377039|7.102390|4.687105|21.733124|16.013780|73.516695| |17.583860|8.792636|0.209345|6.874608|9.223157|6.245040|4.554968|3.793442|3.811794|4.636185|6.318518|5.468686|2.843206|10.103469|4.644228|8.266076|3.499608|0.089109|3.339389|2.679179|4.248025|3.482757|2.935408|3.002353|2.145479|4.171364|1.839217|1.737911|1.544888|1.459085|1.514227|1.694997|1.787989|2.258285|2.231651|0.500000| |17.592793|8.857972|0.214616|5.512231|8.094270|4.478438|3.459260|2.927814|2.922780|3.453703|4.450283|4.365762|2.319076|12.628946|6.433515|11.842876|4.511555|0.106875|4.250550|3.317766|5.106620|4.336365|3.779631|3.662343|2.640757|5.288412|2.195304|2.064081|1.797713|1.677297|1.741090|1.980279|2.026114|2.553307|2.507711|0.301118|0.500000| |17.576872|8.859492|0.173811|6.919365|10.840040|5.138032|4.084205|3.291028|3.104783|3.489180|4.501854|4.577107|2.347682|12.825170|5.381631|8.529545|4.194097|0.103886|4.339115|3.282241|5.187161|4.057904|3.336348|3.407278|2.424549|4.735187|2.045546|1.896982|1.672865|1.588853|1.669478|1.892029|1.930892|2.418017|2.415299|0.300703|0.299751|0.500000| |3.965003|4.588018|0.114221|7.223778|13.867663|8.926917|17.756491|8.971145|5.646634|4.955597|5.673210|7.626749|3.333420|6.946173|3.118114|5.069535|2.737255|0.078872|2.652322|2.204032|3.609110|2.829460|2.260278|2.463028|1.690701|3.102807|1.497469|1.392177|1.268569|1.235887|1.305206|1.441057|1.538306|1.925343|1.960352|0.113338|0.090318|0.111074|0.500000| |2.945282|3.194500|0.086202|4.129028|7.051436|5.611403|8.914538|17.742912|8.942844|5.652632|4.966493|13.515482|4.874859|4.861823|2.352548|4.018796|2.087708|0.059614|2.003261|1.734278|2.874042|2.275217|1.811829|2.034290|1.414468|2.593574|1.274666|1.203139|1.108287|1.078465|1.127090|1.227434|1.356440|1.710261|1.729343|0.088589|0.070771|0.079913|0.214221|0.500000| |3.593709|3.804414|0.117372|4.079025|5.940769|5.634225|4.956896|5.620911|8.864416|17.770532|8.954011|12.495653|7.442966|5.342670|2.731882|5.078402|2.270969|0.062728|2.070511|1.796582|2.911086|2.442345|2.031831|2.194918|1.546336|2.888543|1.380344|1.325007|1.209520|1.153877|1.187441|1.296704|1.443994|1.838050|1.816635|0.116512|0.090279|0.087154|0.107644|0.124026|0.500000| |6.083045|7.095933|0.249040|6.811001|8.518475|8.872086|5.641567|4.966595|5.680239|9.028520|17.739994|7.499084|3.933657|8.451527|4.146254|7.816388|3.155648|0.085545|2.784514|2.315751|3.655071|3.144067|2.709628|2.744245|1.916826|3.621877|1.667166|1.582434|1.420004|1.346666|1.394412|1.547980|1.662332|2.104473|2.081460|0.198952|0.145021|0.131367|0.124116|0.107798|0.220027|0.500000| |2.512840|2.665388|0.079502|2.913119|4.582541|3.728111|3.796889|4.759097|7.034621|6.726799|4.577058|16.435772|17.570128|4.030492|2.101149|3.847688|1.831035|0.051401|1.690766|1.503760|2.471902|2.048670|1.669179|1.870397|1.316753|2.428843|1.195090|1.151217|1.063520|1.021958|1.050313|1.134982|1.291077|1.646286|1.632857|0.077443|0.064514|0.063932|0.088229|0.119980|0.223667|0.113692|0.500000| |2.651870|2.682214|0.078283|2.912519|4.565706|3.728919|3.796836|4.759142|7.035593|6.728486|4.578307|16.435748|17.569783|3.998150|2.065295|3.774146|1.792437|0.049611|1.683092|1.492178|2.464301|2.013593|1.631199|1.839149|1.306949|2.429911|1.185814|1.145090|1.057601|1.014325|1.040515|1.123874|1.281657|1.636518|1.619039|0.084377|0.067743|0.067933|0.088215|0.119973|0.223522|0.113683|0.298706|0.500000| |2.228614|2.304063|0.066615|2.545577|4.124804|3.178323|3.421661|4.422765|5.891984|4.907103|3.621397|16.999579|17.655802|3.542477|1.837772|3.320297|1.629444|0.045665|1.535230|1.374288|2.283316|1.855065|1.488358|1.702778|1.204530|2.219302|1.100823|1.061484|0.985964|0.951123|0.977488|1.051254|1.207031|1.539871|1.531065|0.068611|0.057137|0.058159|0.082288|0.121672|0.145645|0.089424|0.299953|0.299951|0.500000| |3.986627|4.442872|0.105992|4.001040|7.988475|3.047698|2.722744|2.278836|2.107512|2.242634|2.669493|3.266475|1.691975|11.421785|6.162314|8.022223|8.610902|0.221890|17.643405|8.815859|12.284888|8.229553|5.686888|5.877418|3.709941|6.677745|2.959268|2.509744|2.161995|2.117114|2.358669|2.831662|2.492893|3.015487|3.154230|0.090869|0.108631|0.120462|0.079800|0.058543|0.057415|0.076240|0.047295|0.047062|0.043247|0.500000| |4.652390|4.692281|0.112734|3.817047|7.020389|2.962969|2.575044|2.186201|2.072358|2.253625|2.694194|3.216832|1.690236|11.663755|7.064402|9.561208|8.696175|0.174728|17.545837|9.051002|12.008310|8.843890|6.494368|6.361204|4.348085|8.583770|3.293884|2.830789|2.374396|2.258832|2.465744|2.988409|2.627688|3.206187|3.266737|0.102414|0.137705|0.140384|0.073208|0.055646|0.058541|0.079326|0.047220|0.047689|0.043044|0.302302|0.500000| |3.609823|3.866262|0.108115|3.061434|5.244980|2.561446|2.200917|1.937753|1.909840|2.126701|2.494135|3.007025|1.623954|8.667741|7.125847|12.990156|8.728806|0.174373|6.516397|6.509133|8.509671|12.330880|17.616315|9.304392|6.124131|12.312714|4.185425|3.665122|2.904001|2.630131|2.788932|3.446197|2.984040|3.676040|3.610022|0.084927|0.114108|0.095025|0.060377|0.049152|0.057061|0.076428|0.046412|0.045749|0.041346|0.133689|0.173539|0.500000| |3.105023|3.555790|0.101375|2.972290|5.185161|2.510157|2.187446|1.930302|1.891666|2.084707|2.423844|2.987778|1.608007|8.007095|6.258378|10.771605|8.689792|0.222316|5.696853|5.907152|7.877052|12.384342|17.624501|9.367073|5.143480|8.714113|3.846016|3.304282|2.715967|2.541158|2.747852|3.367482|2.914083|3.558013|3.578584|0.074782|0.092546|0.081755|0.060370|0.049212|0.055725|0.073093|0.046338|0.044698|0.041064|0.127996|0.133521|0.300639|0.500000| |2.271758|2.420161|0.065831|2.161825|3.932099|1.870318|1.705249|1.529914|1.481645|1.583335|1.782645|2.390569|1.286321|5.182574|3.407610|5.649917|4.511085|0.119889|4.563875|6.708194|11.320320|12.962345|6.025334|26.087103|9.275582|10.845089|7.434711|4.992448|3.986542|3.981583|4.880840|7.228771|4.222486|4.844699|5.212952|0.056068|0.066654|0.063200|0.048109|0.039950|0.042357|0.052129|0.036559|0.035794|0.033400|0.109798|0.110578|0.144251|0.162172|0.500000| |1.994620|1.986307|0.055105|1.743337|3.058122|1.565104|1.422337|1.306251|1.296520|1.399694|1.546675|2.120918|1.165548|3.941007|2.551657|4.634686|2.839147|0.071228|2.852774|3.384075|5.912461|5.305096|3.557086|6.760498|7.186691|12.738897|8.934933|17.756241|8.924653|5.676356|4.940774|5.643622|5.660694|7.157889|6.045193|0.050634|0.060824|0.054792|0.039334|0.034095|0.038291|0.045940|0.033049|0.032947|0.030373|0.069169|0.080146|0.109236|0.094139|0.123421|0.500000| |1.588247|1.584595|0.043907|1.430240|2.528686|1.305091|1.206401|1.120364|1.111061|1.185092|1.289220|1.838030|1.012737|3.088136|1.933288|3.475892|2.124454|0.055223|2.156801|2.508235|4.557529|3.747873|2.506944|4.576346|4.122488|6.855534|5.635497|8.890013|17.791610|8.932547|5.628411|4.943762|9.786494|14.210750|8.836524|0.040999|0.047434|0.043927|0.033490|0.029526|0.032490|0.037833|0.028665|0.028546|0.026608|0.054447|0.059961|0.073228|0.068213|0.091888|0.213323|0.500000| |1.553103|1.584867|0.043076|1.468428|2.671995|1.322500|1.240901|1.142479|1.111469|1.167332|1.274240|1.833961|0.995813|3.166843|1.939410|3.323993|2.243691|0.060376|2.379423|2.932177|5.771858|4.184505|2.556657|5.191087|4.081771|6.020864|5.633799|4.943602|5.626784|8.939884|17.792238|8.881574|9.796977|8.843733|14.226190|0.039728|0.045142|0.043804|0.035072|0.030353|0.031535|0.036752|0.028084|0.027795|0.026233|0.062108|0.063436|0.069140|0.069357|0.118864|0.107423|0.124297|0.500000| 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