Version2.0 2020-07-19T17:41:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCc5[nH+]ccn5C C39689017 RHF 6-31G(d) (6D,7F) Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCc5[nH+]ccn5C C01[X(C26H33N5O5)] 201 C1 606 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCc1[nH+]ccn1C O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCc1[nH+]ccn1C Cn1cc[nH+]c1CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc5C(=CC(=O)Oc45)C InChIKey=SFZRJMZBKBFONT-IBGZPJMESA-P InChI=1S/C26H31N5O5/c1-17-12-23(33)36-24-18(17)4-3-5-20(24)35-15-22(32)31-14-19(26(16-31)6-8-27-9-7-26)25(34)29-13-21-28-10-11-30(21)2/h3-5,10-12,19,27H,6-9,13-16H2,1-2H3,(H,29,34)/p+2/t19-/m0/s1 InChI=1/C26H31N5O5/c1-17-12-23(33)36-24-18(17)4-3-5-20(24)35-15-22(32)31-14-19(26(16-31)6-8-27-9-7-26)25(34)29-13-21-28-10-11-30(21)2/h3-5,10-12,19,27H,6-9,13-16H2,1-2H3,(H,29,34)/p+2/t19-/m0/s1/fC26H33N5O5/h27-29H/q+2 Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCc5[nH+]ccn5C C01[X(C26H33N5O5)] 201 C01 606 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCc1[nH+]ccn1C O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)CO[C]1[CH][CH][CH][C]2[C]1O[C]([O])[CH]=C2C)NC[C]1[NH]C=C[N]1C CN1C=CN[C]1CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)CO[C]4[CH][CH][CH][C]5[C]4O[C]([O])C=C5C InChIKey=FMKZZNAQCMITEM-IBGZPJMESA-N InChI=1S/C26H33N5O5/c1-17-12-23(33)36-24-18(17)4-3-5-20(24)35-15-22(32)31-14-19(26(16-31)6-8-27-9-7-26)25(34)29-13-21-28-10-11-30(21)2/h3-5,10-12,19,28H,6-9,13-16,27H2,1-2H3,(H,29,34)/t19-/m0/s1 InChI=1/C26H33N5O5/c1-17-12-23(33)36-24-18(17)4-3-5-20(24)35-15-22(32)31-14-19(26(16-31)6-8-27-9-7-26)25(34)29-13-21-28-10-11-30(21)2/h3-5,10-12,19,28H,6-9,13-16,27H2,1-2H3,(H,29,34)/t19-/m0/s1/f/h29H 4104.4901800785 -1649.9558369 1-A 18924.2405 131 475 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.82202 -20.76962 -20.73675 -20.72772 -20.70527 -15.92013 -15.86303 -15.84793 -15.78123 -15.76773 -11.57801 -11.55506 -11.55038 -11.52646 -11.50799 -11.50706 -11.49148 -11.49143 -11.48364 -11.48017 -11.47491 -11.47002 -11.46562 -11.45984 -11.45845 -11.45541 -11.44666 -11.44602 -11.44462 -11.43937 -11.42726 -11.41228 -11.41089 -11.40982 -11.40284 -11.39091 -1.68173 -1.61487 -1.59924 -1.59562 -1.57211 -1.56263 -1.55462 -1.45562 -1.45335 -1.43932 -1.34803 -1.32276 -1.29639 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-0.00523 -0.00176 0.00533 0.99998 1 0.00531 0.00450 0.00265 0.11067 0.09386 0.05520 22.41 28.90 36.49 52.38 62.35 75.47 78.73 84.69 122.62 124.79 142.00 154.25 175.84 186.77 191.22 222.64 230.01 268.33 272.42 287.24 301.22 329.04 357.45 367.70 374.69 386.15 388.94 427.53 439.04 456.60 475.28 502.19 532.15 552.45 579.23 606.10 631.61 644.88 666.95 680.48 703.35 725.05 747.14 764.70 797.41 809.51 826.69 869.99 889.47 926.70 943.50 953.21 967.28 980.95 992.58 1003.66 1034.84 1067.25 1076.48 1137.50 1155.98 1167.17 1188.99 1201.64 1224.27 1225.61 1234.51 1255.44 1266.37 1291.31 1307.32 1313.02 1332.78 1342.27 1351.61 1381.88 1410.04 1443.42 1454.55 1462.76 1478.21 1498.04 1511.97 1513.72 1540.95 1555.55 1561.69 1586.45 1609.09 1612.69 1616.32 1624.91 1636.91 1641.36 1654.04 1678.04 1680.99 1685.25 1714.58 1723.95 1740.40 1752.99 1765.18 1777.00 1803.53 1817.52 1846.41 1852.13 1886.38 1892.18 1901.41 1918.11 1929.85 1942.27 1963.17 1985.18 1989.20 2006.35 2010.40 2029.28 2031.35 2041.58 2049.17 2067.94 2085.39 2086.98 2093.64 2115.81 2159.47 2176.84 2191.63 2193.66 2208.36 2221.37 2229.37 2237.83 2243.84 2249.69 2254.29 2256.62 2281.68 2303.86 2324.03 2331.95 2333.15 2333.97 2335.60 2346.71 2354.21 2362.52 2364.02 2376.10 2376.43 2379.93 2391.59 2399.65 2406.63 2440.10 2458.83 2482.64 2551.41 2598.13 2611.01 2620.51 2630.09 2728.44 2794.15 2816.21 4610.59 4636.52 4636.72 4646.88 4661.32 4677.08 4681.97 4693.18 4709.30 4721.87 4727.86 4729.23 4740.01 4779.93 4788.32 4805.67 4811.56 4817.61 4825.23 4839.21 4849.63 4854.93 4873.82 4881.77 4900.20 4919.60 4920.27 5010.62 5039.96 5271.83 5340.71 5360.74 5495.35 0.631571 0.661914 0.662858 0.567568 -1649.324265 -1649.293923 -1649.292979 -1649.388269 3.196042D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCc5[nH+]ccn5C C39689017 RHF 6-31G(d) (6D,10F) C1 495.248169 |X|Y|Z| 99.044552 90.265380 31.087861 65.260072 31 6 7 8 24 5 2 |36.858105| |12.676635|36.858105| |7.680472|14.186849|36.858105| |4.985730|7.831916|13.209866|36.858105| |3.939854|5.360226|8.086298|15.741588|73.516695| |4.454899|6.868520|8.009777|14.314027|15.636179|73.516695| |4.988533|7.809549|6.923421|8.052943|9.860769|24.845464|36.858105| |7.411670|13.019408|7.889859|6.796838|8.445292|14.135839|13.724257|36.858105| |6.350139|7.545170|5.127981|4.537932|6.268293|9.268599|7.957060|13.630145|36.858105| |4.353691|5.051465|3.954172|3.821178|5.519580|8.228784|6.919366|7.921706|13.846345|36.858105| |3.659029|4.488993|3.819521|4.014901|5.874696|9.383364|7.994449|6.846661|7.937059|13.697592|36.858105| |3.813650|5.096748|4.600710|5.295019|7.505791|14.408566|13.699571|7.850902|6.838395|7.922186|13.814322|36.858105| |3.085182|3.966125|3.884110|4.771278|7.350475|12.700753|8.046999|5.217214|4.593785|5.194945|7.922957|13.984538|73.516695| |2.661174|3.267403|3.202788|3.798011|6.111749|9.086639|5.521515|4.096054|3.817679|4.409087|6.329959|8.030838|23.932293|36.858105| |2.258914|2.709092|2.736289|3.266637|5.549209|7.352326|4.111795|3.207669|2.987277|3.342420|4.396728|5.244437|14.403599|12.506960|36.858105| |2.046005|2.396283|2.389984|2.768295|4.714029|6.021757|3.454753|2.816234|2.707276|3.080542|3.971038|4.368177|10.741659|8.049884|15.900203|73.516695| |2.185589|2.628123|2.750895|3.379430|6.006170|7.377659|3.809970|2.990302|2.700494|2.889226|3.604424|4.414980|11.256267|7.717544|13.980100|15.101085|53.358707| |2.400088|2.954672|3.221407|4.189202|7.756212|9.113937|4.266802|3.275237|2.826890|2.902694|3.527474|4.548962|11.022391|6.392326|7.587404|9.486274|17.952145|36.858105| |2.275312|2.770769|3.077432|3.999597|7.787965|8.204076|3.772576|2.985475|2.576727|2.610659|3.092385|3.885140|8.915940|4.647414|5.570654|8.018487|10.939697|12.200641|36.858105| |2.485139|3.079711|3.438550|4.578935|8.792434|9.622975|4.315541|3.341394|2.835992|2.853811|3.396925|4.380368|10.030018|4.717825|5.291814|7.740757|8.948815|8.852169|17.555576|0.500000| |1.970308|2.330742|2.504097|3.067253|5.758732|6.235897|3.101548|2.537144|2.278751|2.368340|2.809192|3.344353|7.660176|4.251060|5.726158|9.126065|10.972310|7.657630|12.081488|0.243475|36.858105| |1.914949|2.251870|2.371256|2.853961|5.212261|5.911667|3.047412|2.494294|2.280906|2.418877|2.912402|3.409438|7.986564|5.002942|7.827425|12.334657|17.979145|8.254320|7.842225|0.167178|12.290807|36.858105| |1.998070|2.355563|2.483815|2.986408|5.439652|6.146906|3.168683|2.603161|2.371316|2.499263|2.988688|3.499546|7.994536|4.182245|5.462920|9.482968|8.399360|5.544188|7.567879|0.218801|12.300410|7.487206|36.858105| |1.753182|2.016902|2.090155|2.424463|4.372858|4.888678|2.613241|2.221732|2.082711|2.221940|2.614588|2.909478|6.359802|3.499434|4.543577|8.832537|6.489748|4.058810|4.862742|0.134328|7.390959|6.077210|12.506795|36.858105| |1.588077|1.805430|1.890368|2.175839|4.004369|4.256321|2.244098|1.944796|1.818912|1.909281|2.191306|2.423605|5.123334|2.850016|3.562219|6.693280|5.338301|3.525992|4.310286|0.114129|6.432536|5.179442|7.681670|12.643936|53.358707| |1.480560|1.666141|1.730065|1.962866|3.586134|3.821444|2.044036|1.794064|1.697638|1.789888|2.038731|2.213875|4.606393|2.594752|3.196283|6.160050|4.643204|3.037498|3.537955|0.094321|4.908455|4.359337|5.674520|9.169434|25.668705|0.500000| |1.588997|1.802450|1.898815|2.181449|4.046748|4.209261|2.202572|1.921944|1.789036|1.859121|2.111217|2.339583|4.863649|2.639380|3.183600|5.841214|4.759207|3.293307|4.150293|0.113282|5.721262|4.373636|6.970733|9.193860|25.675548|0.328665|0.500000| |1.568271|1.786773|1.890357|2.194535|4.101810|4.262416|2.210037|1.909271|1.770359|1.843786|2.111366|2.361054|5.010864|2.859606|3.618826|6.558777|5.812874|3.890252|4.765524|0.116409|7.500627|6.163323|6.536530|7.576236|17.207791|0.254543|0.255711|36.858105| |1.736683|2.009732|2.167016|2.584733|4.942504|5.016829|2.514470|2.134695|1.936882|1.991796|2.291308|2.641290|5.687158|3.182386|4.003834|6.764144|6.978434|5.083814|7.141753|0.159215|12.371048|7.458115|7.634255|6.457031|10.413098|0.157165|0.194451|12.475718|36.858105| |2.200236|2.643500|3.033294|3.923562|8.280367|7.333041|3.292620|2.719384|2.329417|2.296618|2.615134|3.203271|6.748564|3.552820|3.952772|5.956003|7.103526|7.554314|12.499298|0.252206|7.077359|5.300485|5.058160|3.740068|4.937787|0.084882|0.100816|4.151821|6.207603|36.858105| |1.946263|2.280035|2.583346|3.190544|6.630864|5.829285|2.726556|2.323347|2.031259|2.008851|2.255454|2.674474|5.516180|2.981459|3.359538|5.271286|5.876924|5.481500|7.837870|0.170976|6.246434|4.760214|4.504412|3.566152|5.031428|0.086865|0.104047|4.448669|6.815892|15.846579|73.516695| |2.486925|3.041213|3.650110|4.951838|11.552650|8.674059|3.661719|3.033758|2.521539|2.419095|2.707626|3.366873|6.779665|3.472478|3.585286|5.349720|6.054456|6.563829|7.957274|0.204950|4.937791|4.135540|4.001486|3.073610|3.986235|0.070553|0.081891|3.214082|4.315380|14.058322|15.142200|53.358707| |2.348845|2.785129|3.374866|4.279761|10.159494|6.970923|3.069838|2.676813|2.251969|2.131764|2.318317|2.783614|5.365830|2.809777|2.856181|4.392615|4.635388|4.537670|5.060045|0.132746|3.717271|3.252973|3.124332|2.543125|3.396152|0.061373|0.070380|2.746104|3.520041|7.788753|12.245793|18.034062|36.858105| |2.339614|2.725608|3.338144|4.062004|9.710805|6.330586|2.840638|2.551466|2.153742|2.015471|2.152837|2.542297|4.777393|2.448521|2.469575|3.889235|3.859837|3.560734|4.110112|0.115455|3.208150|2.753007|2.858920|2.366182|3.185475|0.057937|0.067480|2.504131|3.115008|5.683302|9.575050|10.579990|12.627011|36.858105| |2.650126|3.097947|3.932923|4.712225|11.706978|6.877836|3.060692|2.803893|2.329755|2.136578|2.248102|2.654723|4.845937|2.421952|2.381663|3.761900|3.613384|3.277710|3.700404|0.109573|2.917780|2.525611|2.714719|2.252815|2.977517|0.054493|0.063254|2.276421|2.760483|4.611595|7.431333|8.403002|7.628382|14.432284|53.358707| |3.073923|3.701434|4.964121|6.185535|17.208993|8.344399|3.576574|3.270825|2.641896|2.382262|2.497845|2.995379|5.371478|2.633649|2.529700|3.953436|3.795046|3.480446|3.811149|0.115581|2.945369|2.582436|2.767404|2.275595|2.948382|0.053989|0.062111|2.235303|2.698977|4.525958|6.951181|8.548135|6.944226|9.280631|25.740183|0.500000| |2.405144|2.710574|3.315329|3.708692|8.299515|5.577459|2.605434|2.449569|2.086099|1.919409|1.995401|2.297997|4.161403|2.094891|2.074336|3.342786|3.098745|2.702530|3.063430|0.090654|2.548415|2.208904|2.429154|2.068782|2.772422|0.051223|0.059590|2.095347|2.478249|3.679586|6.250901|6.017752|5.210926|8.650171|18.856447|0.247285|36.858105| |2.073053|2.315042|2.746497|3.081925|6.708486|4.840738|2.297755|2.143695|1.858417|1.738192|1.820462|2.079840|3.830836|1.966283|1.986187|3.224942|3.002151|2.594298|2.983280|0.085713|2.540500|2.191019|2.383817|2.055624|2.819547|0.052148|0.060940|2.161318|2.559350|3.694107|6.650450|5.752616|5.187585|8.676255|11.931584|0.167912|14.226857|36.858105| |2.049826|2.325838|2.761400|3.208989|7.139139|5.133116|2.397804|2.189755|1.891137|1.784449|1.894838|2.189689|4.111797|2.134438|2.183216|3.508736|3.382665|2.992916|3.487404|0.097019|2.900572|2.484664|2.618017|2.227278|3.074722|0.056346|0.065948|2.418928|2.950445|4.658312|8.657436|7.384003|7.492354|14.440977|12.129728|0.170736|8.686342|13.759773|53.358707| |1.791810|2.011403|2.323951|2.669061|5.693927|4.422098|2.114096|1.928553|1.695283|1.622522|1.730898|1.977459|3.758628|1.997061|2.083448|3.383324|3.258375|2.822151|3.281018|0.087819|2.851515|2.462261|2.521533|2.192678|3.111704|0.057305|0.066671|2.509083|3.043782|4.397904|9.032836|6.317172|6.097403|7.642823|7.269820|0.118092|5.275253|7.532845|17.647791|36.858105| |17.626391|8.896290|7.361697|4.728420|6.981576|7.097641|4.159208|5.486663|4.687940|3.503931|3.073348|3.254030|4.876799|2.397613|2.080150|3.356432|2.784497|2.266551|2.176220|0.065647|1.880772|1.814670|1.892521|1.663671|2.074615|0.039482|0.042561|1.512373|1.678808|2.149930|3.408253|3.340068|2.372139|2.403618|3.761550|0.089147|2.534922|2.162577|2.875858|1.833175|0.500000| |17.565131|8.902013|5.976294|4.288667|6.182344|7.095886|4.575091|6.651232|6.416934|4.446980|3.634793|3.658338|5.262450|2.538697|2.173908|3.548048|2.835040|2.251537|2.163800|0.066079|1.902804|1.841656|1.961612|1.735681|2.133737|0.040738|0.043686|1.532164|1.681864|2.073487|3.280905|3.135148|2.163515|2.176012|3.346930|0.078078|2.272364|1.969338|2.629561|1.697286|0.301190|0.500000| |17.566488|8.904861|5.965682|4.287568|6.171695|7.118134|4.590108|6.664543|6.407732|4.439609|3.632864|3.665118|5.263554|2.626418|2.208667|3.565781|2.887682|2.304119|2.145515|0.064135|1.875153|1.852058|1.888676|1.671866|2.063701|0.039435|0.041894|1.503714|1.655414|2.068073|3.269574|3.155533|2.197206|2.154945|3.255156|0.075972|2.170188|1.901416|2.583559|1.681272|0.301249|0.301831|0.500000| |7.000200|8.988141|17.772658|8.898750|12.989037|10.206586|4.985953|5.581477|4.113615|3.277648|3.148340|3.657662|5.718298|2.741724|2.409471|3.787536|3.341302|2.867243|2.793182|0.085388|2.296648|2.163047|2.262618|1.925670|2.408268|0.045134|0.049651|1.777208|2.032561|2.845333|4.394458|4.695112|3.348518|3.429888|5.681320|0.147387|3.579006|2.901200|3.887658|2.373403|0.222738|0.152626|0.152213|0.500000| |7.169919|6.888102|4.656359|3.917522|5.580016|7.469507|5.652234|8.877060|17.765391|8.976230|5.653486|4.937790|6.488880|3.155898|2.560277|4.189363|3.194079|2.452760|2.266508|0.068653|2.025214|2.022218|2.101927|1.872419|2.254324|0.043200|0.045427|1.613021|1.752596|2.087910|3.281179|3.077793|2.061928|1.996496|2.953304|0.067903|1.971450|1.756827|2.410280|1.590291|0.141923|0.216771|0.215535|0.109140|0.500000| |3.801989|4.098825|3.293349|3.153676|4.703318|6.526883|4.978474|5.637903|8.953674|17.747809|8.922791|5.650514|7.468031|3.783015|2.982233|5.031907|3.505790|2.542454|2.308473|0.069260|2.140359|2.200134|2.266473|2.061399|2.426276|0.046865|0.048164|1.715235|1.826823|2.046773|3.229169|2.904128|1.904301|1.810297|2.599371|0.058458|1.737690|1.586127|2.208148|1.487483|0.086878|0.110531|0.110179|0.078512|0.216393|0.500000| |3.044771|3.582831|3.158797|3.350687|5.104901|7.573751|5.673365|4.940417|5.651828|8.900902|17.740385|8.967015|12.778412|6.564455|4.673966|7.890901|4.965038|3.389387|2.973615|0.089245|2.805240|2.975547|3.023181|2.714758|3.061078|0.058610|0.059565|2.149931|2.290086|2.484687|3.856837|3.417059|2.153501|1.995185|2.798884|0.062516|1.841206|1.701395|2.417811|1.643341|0.072876|0.084756|0.084595|0.074545|0.124441|0.215386|0.500000| |2.728850|3.358628|3.326196|3.953478|6.379507|9.294848|5.466179|4.124090|3.768409|4.178549|5.565766|7.035239|16.429944|17.578383|8.746753|10.706262|9.605452|6.558921|4.449191|0.121318|3.901240|4.615247|3.633325|3.059360|3.527536|0.065749|0.067119|2.670382|3.011292|3.574493|5.325535|4.900576|2.950145|2.517527|3.369925|0.075136|2.119022|1.987858|2.959502|2.034701|0.068614|0.070859|0.075784|0.079253|0.087352|0.099607|0.151071|0.500000| |2.549953|3.043140|2.895382|3.281784|5.248600|7.531272|4.848721|3.851934|3.823569|4.690095|6.891734|7.170332|16.365510|17.671054|9.050941|13.788695|7.820195|4.733179|3.733834|0.105801|3.584753|4.200821|3.650595|3.228463|3.589895|0.068029|0.067758|2.604506|2.800048|2.969962|4.563247|3.953089|2.426020|2.156380|2.922890|0.064505|1.889568|1.777917|2.597337|1.795517|0.063398|0.068456|0.070829|0.069474|0.088497|0.115583|0.228429|0.299614|0.500000| |2.766138|3.524611|3.863019|5.260790|9.335973|12.469279|5.526386|3.989171|3.324130|3.371654|4.157008|5.759036|14.097387|7.441524|7.107025|8.807126|12.320018|17.727312|8.644281|0.226840|5.680852|5.852843|4.762199|3.567924|4.179715|0.074715|0.081101|3.255907|4.062692|6.287342|8.179014|8.767465|4.509528|3.598598|4.682870|0.105216|2.794249|2.610314|4.026451|2.708590|0.071721|0.071227|0.073532|0.092607|0.078490|0.079953|0.106852|0.223379|0.145542|0.500000| |2.260887|2.734519|3.002991|3.815014|7.248969|7.809796|3.688288|2.952446|2.568426|2.607131|3.073156|3.811152|8.504953|5.165009|5.872695|7.915265|12.528175|17.563980|8.701512|0.176589|6.233929|7.073312|4.452237|3.497133|4.351665|0.077743|0.083140|3.664450|4.758747|7.407709|10.178204|9.008741|4.857387|3.618980|4.396562|0.093887|2.656270|2.589213|4.147863|2.935032|0.059986|0.058460|0.060850|0.075806|0.062907|0.064236|0.082178|0.158517|0.112619|0.301587|0.500000| |1.807710|2.105177|2.230966|2.662126|4.934323|5.366514|2.747912|2.292693|2.097778|2.199802|2.591806|2.995730|6.705408|4.241840|5.937070|9.469173|12.540685|7.234366|6.644914|0.138822|8.765414|17.536299|5.501080|4.800109|6.193554|0.109642|0.108760|5.906127|7.176191|5.229701|8.846578|5.542464|3.309852|2.746449|3.361791|0.069402|2.161757|2.173192|3.400604|2.530816|0.047960|0.048029|0.048816|0.057211|0.052189|0.055936|0.073047|0.115324|0.101035|0.144145|0.206310|0.500000| |1.801719|2.091799|2.165818|2.545525|4.573308|5.256840|2.803615|2.333548|2.180589|2.349899|2.830668|3.201122|7.373509|4.720002|7.556717|14.538369|12.514941|5.853388|5.632883|0.133616|8.519433|17.711382|7.025330|6.851937|7.589710|0.135476|0.124255|6.252251|6.263070|4.127755|6.819016|4.590860|2.753568|2.398724|3.040108|0.063407|1.988861|1.973211|2.993974|2.187421|0.047277|0.048546|0.048617|0.054982|0.053952|0.060178|0.082401|0.117171|0.116504|0.129309|0.143442|0.302203|0.500000| |2.169861|2.589773|2.688614|3.242813|5.720541|6.956317|3.677545|2.945129|2.689815|2.887746|3.569053|4.245137|10.251183|5.138775|6.755629|11.614860|9.268626|5.842716|7.000386|0.221182|8.716831|6.941449|17.592265|9.027843|7.633487|0.127283|0.142948|4.896215|5.516448|4.589480|6.983989|5.268573|3.008206|2.747964|3.632762|0.077230|2.370869|2.280705|3.370263|2.342823|0.056355|0.059341|0.056976|0.066818|0.065202|0.071995|0.101078|0.117298|0.123128|0.147423|0.124493|0.139480|0.185815|0.500000| |2.031299|2.392091|2.553108|3.071675|5.680075|6.159777|3.121299|2.596784|2.342609|2.424114|2.837368|3.324524|7.253637|3.630329|4.355008|7.431213|6.594265|4.820017|6.990030|0.226000|8.801883|5.478215|17.508041|8.902792|9.357394|0.143479|0.202687|5.709567|6.873764|5.161879|8.243940|5.631514|3.249535|3.077577|4.014737|0.082808|2.666764|2.614288|3.867152|2.701181|0.053806|0.055632|0.052756|0.065095|0.058038|0.060980|0.078252|0.089537|0.088866|0.120336|0.110453|0.123111|0.140428|0.304223|0.500000| |1.707197|1.956464|2.006858|2.310618|4.123946|4.698441|2.555044|2.175389|2.063758|2.232381|2.648489|2.903046|6.397534|3.700094|5.031275|10.603173|6.910499|4.018933|4.436471|0.118813|6.574058|6.609272|8.743250|17.648903|12.391609|0.225554|0.180959|6.848699|5.621665|3.419621|5.785634|3.887686|2.383883|2.188630|2.834658|0.058753|1.906027|1.890871|2.793735|2.029847|0.044822|0.046864|0.045629|0.051227|0.051506|0.057913|0.077866|0.089126|0.096541|0.097704|0.097294|0.143192|0.241649|0.215028|0.173197|0.500000| |1.736252|1.982407|2.035691|2.326437|4.153091|4.665263|2.536191|2.185940|2.070960|2.216864|2.585961|2.822642|6.001499|3.221347|3.960915|7.781357|5.377714|3.466691|4.066122|0.117853|5.420664|4.610848|8.782880|17.629041|12.359557|0.221229|0.225944|5.572835|4.886984|3.248507|5.496808|3.766936|2.327233|2.212540|2.916865|0.060282|1.993997|1.969093|2.852443|2.045726|0.045694|0.048215|0.045859|0.052155|0.051941|0.057537|0.074919|0.077852|0.084479|0.088065|0.083495|0.105403|0.141655|0.212978|0.217137|0.302094|0.500000| |1.533980|1.743314|1.828201|2.110296|3.900397|4.135017|2.172426|1.877502|1.755699|1.845602|2.123934|2.353585|5.021667|2.963818|3.851113|7.176840|6.139371|3.877204|4.391948|0.106147|6.733807|6.817063|5.758327|6.913486|12.430367|0.224981|0.181238|17.629537|8.707830|3.757600|6.985104|4.062628|2.563298|2.306469|2.868165|0.057982|1.931396|1.978604|3.007670|2.286742|0.040940|0.041574|0.041149|0.047588|0.044408|0.047900|0.060736|0.076938|0.075671|0.089644|0.102799|0.187944|0.212244|0.128869|0.132581|0.204736|0.142233|0.500000| |1.460745|1.648150|1.746812|2.005507|3.770437|3.827441|1.986268|1.741259|1.619050|1.674595|1.890158|2.093875|4.341811|2.467922|3.011849|5.439202|4.745025|3.284861|3.951730|0.098261|5.465011|4.670107|4.905193|5.573576|12.370585|0.222701|0.225135|17.627866|8.779090|3.694652|7.334526|3.984739|2.586707|2.396145|2.949941|0.058447|2.024965|2.120114|3.221455|2.508467|0.039368|0.039677|0.038929|0.046062|0.041313|0.043506|0.053268|0.064904|0.063097|0.078130|0.088248|0.130974|0.130363|0.107894|0.128241|0.141845|0.126521|0.301797|0.500000| |1.743372|2.012784|2.191703|2.611709|5.072177|4.962941|2.461090|2.108682|1.901874|1.933058|2.196006|2.531874|5.327999|2.885999|3.463342|5.830288|5.784567|4.467001|6.564217|0.158682|8.760199|5.450293|6.847524|5.692945|9.398797|0.144106|0.205447|8.889482|17.576055|6.403168|13.273548|6.080159|3.702176|3.401037|4.076796|0.079918|2.722977|2.851323|4.477798|3.405107|0.047115|0.047015|0.045812|0.057587|0.048031|0.049215|0.060347|0.076108|0.070943|0.104001|0.115999|0.144709|0.131471|0.139659|0.202169|0.131044|0.128978|0.172784|0.215407|0.500000| |1.683886|1.940093|2.101971|2.499254|4.827413|4.786913|2.387914|2.042389|1.851111|1.892531|2.159011|2.481724|5.271311|3.014234|3.723576|6.193339|6.626315|4.990881|6.429579|0.137936|8.735312|6.867587|5.512558|4.839746|7.610043|0.126919|0.143767|8.989512|17.644262|6.350553|13.718180|5.989724|3.702987|3.178869|3.739091|0.074014|2.453387|2.567965|4.117828|3.216105|0.045437|0.044997|0.044820|0.055157|0.046735|0.048306|0.059723|0.081504|0.073699|0.109608|0.140369|0.217254|0.156204|0.122665|0.140280|0.125649|0.107359|0.211635|0.214108|0.306573|0.500000| |2.846145|3.608241|4.454312|6.621110|16.321145|11.606534|4.497830|3.605563|2.899505|2.745804|3.088899|3.977475|7.919225|3.882779|3.826391|5.599307|6.249183|6.916647|7.548581|0.219762|4.652429|4.012258|3.978842|3.029201|3.806572|0.067789|0.077851|2.979530|3.860697|9.246619|10.819525|25.949393|9.143809|6.608608|8.346389|0.193635|4.325128|3.902943|6.339770|3.883346|0.077315|0.072508|0.073022|0.113338|0.071230|0.066149|0.077916|0.112361|0.088809|0.215645|0.179671|0.106264|0.092111|0.111869|0.113807|0.078641|0.076775|0.077810|0.074722|0.109260|0.106138|0.500000| |2.495016|2.959146|3.637058|4.563322|10.893522|7.195683|3.164377|2.795236|2.333971|2.183454|2.349476|2.815318|5.305531|2.800813|2.764960|4.231266|4.400797|4.270856|4.352005|0.115472|3.271453|2.996163|2.796784|2.311837|3.052660|0.055826|0.062670|2.448133|3.042580|5.871013|9.156244|12.574788|17.602059|9.048183|9.408616|0.191553|4.770537|4.537317|8.068574|4.918646|0.070477|0.062811|0.065252|0.101484|0.059566|0.054068|0.060129|0.083579|0.067402|0.122967|0.129613|0.084942|0.071250|0.076492|0.079482|0.061096|0.059168|0.064655|0.064026|0.086727|0.088882|0.226843|0.500000| |2.082593|2.422518|2.847318|3.479522|7.716948|5.860601|2.682818|2.358505|2.027883|1.944782|2.117652|2.498790|4.864022|2.618710|2.726247|4.245208|4.479917|4.248556|4.736602|0.118327|3.682081|3.257692|3.014824|2.505854|3.428451|0.062150|0.070819|2.847588|3.663377|7.434270|13.910805|12.564984|17.692834|8.936062|7.731026|0.140801|4.408735|4.742636|9.639841|7.005329|0.058305|0.053686|0.054717|0.078477|0.051856|0.048758|0.055404|0.076341|0.063367|0.111858|0.131545|0.095050|0.076613|0.079075|0.086103|0.065584|0.063152|0.073881|0.075588|0.106655|0.111530|0.181055|0.302596|0.500000| |2.505501|2.773922|3.377530|3.614932|7.757738|5.377841|2.562033|2.463336|2.105919|1.919360|1.968702|2.242670|3.990032|1.995612|1.954900|3.171462|2.869200|2.459736|2.744568|0.082280|2.322364|2.033600|2.262433|1.947141|2.590531|0.048201|0.055694|1.930067|2.241406|3.155417|5.318672|5.045891|4.139994|5.931981|12.080223|0.206781|17.845938|8.683523|7.989588|4.113976|0.074335|0.066269|0.062129|0.103606|0.055812|0.048409|0.050289|0.055830|0.050461|0.071398|0.066537|0.054910|0.051426|0.062022|0.068985|0.049947|0.052731|0.049655|0.051794|0.067911|0.061108|0.104188|0.109390|0.099087|0.500000| |1.883833|2.070156|2.405444|2.642012|5.555886|4.219951|2.047217|1.927453|1.695419|1.594218|1.662739|1.874727|3.447560|1.783837|1.810732|2.973328|2.716723|2.298571|2.628429|0.075080|2.309264|2.004646|2.188214|1.924191|2.669899|0.049799|0.057991|2.038738|2.367545|3.172837|5.844891|4.732995|4.114832|5.947300|8.037611|0.126457|8.688641|17.842937|12.071606|6.801869|0.054604|0.050123|0.048246|0.070490|0.044807|0.040729|0.043457|0.049904|0.045213|0.063774|0.063791|0.055393|0.050700|0.057907|0.066601|0.049215|0.051511|0.051828|0.056234|0.073420|0.066007|0.089606|0.102119|0.109528|0.193054|0.500000| |1.738088|1.935639|2.229076|2.527267|5.345070|4.172800|2.009983|1.848072|1.630802|1.558302|1.653898|1.878460|3.546865|1.906540|1.975165|3.206810|3.077287|2.652591|2.967305|0.078628|2.592829|2.306456|2.282692|2.006500|2.836297|0.052725|0.060032|2.298521|2.744002|3.886313|7.830501|5.689751|5.670129|6.480842|6.435516|0.108015|4.606743|6.129182|12.338595|17.633719|0.049590|0.045502|0.045629|0.063650|0.042677|0.039799|0.043634|0.054515|0.047803|0.071061|0.078079|0.066631|0.057138|0.059508|0.066745|0.052275|0.051990|0.059150|0.063903|0.082893|0.081717|0.098832|0.136723|0.188605|0.103016|0.158428|0.500000| |1.776503|2.012224|2.308449|2.696282|5.717005|4.574375|2.181687|1.960741|1.725912|1.667779|1.799969|2.067726|4.000787|2.140117|2.274247|3.685009|3.627698|3.159733|3.782251|0.098361|3.298996|2.797203|2.831410|2.442538|3.510310|0.063951|0.075125|2.898949|3.625349|5.329387|12.052433|7.123068|6.514376|6.989712|6.593617|0.111765|4.508530|5.772520|12.389966|17.662058|0.049968|0.046812|0.046445|0.064372|0.044663|0.042412|0.047718|0.060384|0.053099|0.082117|0.091908|0.080647|0.068192|0.071804|0.083993|0.062548|0.062406|0.072601|0.080623|0.114231|0.108628|0.116318|0.138276|0.226776|0.100466|0.144006|0.297919|0.500000| |1.679824|1.865311|2.130938|2.405259|5.023260|4.004261|1.944764|1.789993|1.588210|1.523563|1.617947|1.829211|3.460833|1.836747|1.919935|3.156671|2.962726|2.505852|2.918791|0.079205|2.619726|2.259277|2.372715|2.099962|3.013403|0.055911|0.065296|2.399143|2.838077|3.723062|7.599394|5.182369|4.611532|5.761058|6.205378|0.102724|4.899138|7.281525|12.511913|17.668228|0.047796|0.044568|0.043752|0.060593|0.041593|0.039016|0.042845|0.051553|0.046289|0.066889|0.071401|0.064092|0.056568|0.061034|0.071222|0.053786|0.054967|0.060420|0.067568|0.089236|0.082131|0.091566|0.107888|0.140271|0.110231|0.214109|0.300452|0.300934|0.500000| 1647.812717 -12015.869575 4834.730519 -221.120045 -5754.446384 4104.490475 -1649.955908 2.001301 40D5540000000007 4537E635BC592A51 44B72CCF4246F2BB 42D01CD8C46AF7FD 40A9380000000000 44FA21FC3350E94E