Version2.4 2021-06-07T01:16:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)Cn3c(=O)c4ccc(cc4nc3[S-])C(=O)OC C13118825 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)Cn3c(=O)c4ccc(cc4nc3[S-])C(=O)OC C01[X(C26H26N3O6S1)] 180 C1 596 CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)Cn1c([S-])nc2c(c1=O)ccc(c2)C(=O)OC CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)Cn1c([S-])nc2c(c1=O)ccc(c2)C(=O)OC CCOC(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(CN3C(=Nc4cc(ccc4C3=O)C(=O)OC)[S-])cc2 InChIKey=YQUXSQSHLVNOFZ-LJQANCHMSA-M InChI=1S/C26H27N3O6S/c1-3-35-25(33)19-5-4-12-28(15-19)22(30)17-8-6-16(7-9-17)14-29-23(31)20-11-10-18(24(32)34-2)13-21(20)27-26(29)36/h6-11,13,19H,3-5,12,14-15H2,1-2H3,(H,27,36)/p-1/t19-/m1/s1 InChI=1/C26H27N3O6S/c1-3-35-25(33)19-5-4-12-28(15-19)22(30)17-8-6-16(7-9-17)14-29-23(31)20-11-10-18(24(32)34-2)13-21(20)27-26(29)36/h6-11,13,19H,3-5,12,14-15H2,1-2H3,(H,27,36)/p-1/t19-/m1/s1/fC26H26N3O6S/q-1 CCOC(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)Cn3c(=O)c4ccc(cc4nc3[S-])C(=O)OC C01[X(C26H26N3O6S1)] 180 C01 596 CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)Cn1c([S-])nc2c(c1=O)ccc(c2)C(=O)OC CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C]1[CH][CH][C]([CH][CH]1)CN1[C](S)[N][C]2[C]([CH][CH][C]([CH]2)C(=O)OC)C1=O CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C]2[CH][CH][C]([CH][CH]2)CN3[C](S)[N][C]4[CH][C]([CH][CH][C]4C3=O)C(=O)OC InChIKey=YQUXSQSHLVNOFZ-LJQANCHMSA-N InChI=1S/C26H27N3O6S/c1-3-35-25(33)19-5-4-12-28(15-19)22(30)17-8-6-16(7-9-17)14-29-23(31)20-11-10-18(24(32)34-2)13-21(20)27-26(29)36/h6-11,13,19H,3-5,12,14-15H2,1-2H3,(H,27,36)/t19-/m1/s1 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1375.9404 1377.4307 1400.2020 1405.7522 1424.5451 1427.4827 1433.5213 1452.7767 1455.2605 1478.5671 1483.3159 1486.8296 1513.2851 1524.8421 1536.7971 1540.9588 1547.8330 1570.4905 1571.2103 1571.9833 1579.7715 1589.7982 1629.8932 1630.0671 1630.5496 1637.8417 1638.4359 1640.4627 1642.2262 1642.7678 1642.8733 1651.7602 1658.4437 1673.9531 1690.4880 1696.9779 1755.8540 1762.1892 1816.0698 1821.0816 1892.2861 1917.2056 1985.7047 1992.6333 3192.3046 3198.2852 3204.2826 3213.5088 3215.8019 3235.6828 3239.7944 3243.5603 3253.1340 3261.7235 3280.1454 3283.3563 3294.3147 3308.8625 3321.7506 3332.2971 3355.5972 3363.1302 3367.9160 3369.6949 3383.2019 3395.4247 3396.0368 3399.6392 3417.1654 3424.7531 5.0266 6.0659 5.0877 5.6645 5.6179 6.4866 6.5970 4.4416 5.0310 5.5716 3.9152 5.9290 6.1751 3.5982 3.4858 5.2743 3.2509 5.2978 3.9979 1.2529 2.7570 5.6902 7.0433 6.5071 2.8346 5.6011 1.5498 3.9340 5.5844 5.9811 5.2983 4.6283 4.8122 4.0392 7.0101 4.1523 5.9867 4.2424 2.9889 2.1654 2.2064 4.9337 3.7732 4.1575 3.5272 7.1549 2.5584 6.3085 5.6323 4.3299 6.0819 7.9860 4.8259 6.7261 5.6068 4.2435 6.9068 4.9648 6.0804 4.8602 4.2325 4.0000 3.3080 3.9745 1.1908 4.4152 5.6481 2.4554 3.9351 1.4840 2.2733 3.2545 2.4713 1.4633 2.2559 1.7291 4.0360 2.5987 3.1511 1.5065 2.0828 2.3160 1.5298 2.4404 1.3161 2.9387 3.7109 1.7685 2.9091 1.9956 3.0914 3.6217 2.5052 1.8484 2.6112 2.8614 2.1778 2.4768 1.6086 1.8417 2.2683 1.2732 1.5554 1.3041 2.8263 2.1257 2.1229 1.5457 5.7209 3.4145 1.9511 2.1398 2.2936 2.0112 1.0926 3.4523 1.3439 1.4390 1.3594 5.2941 1.5589 1.4512 1.4109 1.4504 1.3977 1.3090 1.3706 4.5165 1.6014 2.2892 2.2461 1.5803 1.0419 1.3075 1.0906 1.0988 1.1019 2.5252 1.0698 1.0906 1.0484 1.0538 1.1111 1.0947 2.4258 7.1780 8.2869 6.0447 5.3579 6.3282 11.8560 11.9696 11.9618 12.2818 1.0750 1.0635 1.0756 1.0374 1.0697 1.0861 1.0959 1.0292 1.0609 1.1025 1.0991 1.1065 1.0671 1.1089 1.1082 1.1085 1.0917 1.0899 1.0923 1.1004 1.0904 1.0892 1.0943 1.0962 1.0954 1.0926 0.0003 0.0004 0.0010 0.0018 0.0030 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11.0594 10.4115 12.3649 25.0128 25.9218 27.7893 28.7320 6.4545 6.4094 6.5064 6.3121 6.5176 6.6997 6.7772 6.3796 6.6148 6.9106 6.9675 7.0279 6.8229 7.1531 7.2046 7.2526 7.2427 7.2634 7.2996 7.3615 7.3532 7.3987 7.4358 7.4645 7.5366 7.5507 0.7109 0.2791 1.7454 2.1070 2.3593 0.4131 0.6335 0.7621 1.3748 1.0457 0.6233 5.1362 3.3960 1.0639 2.9565 0.8580 7.1681 4.4595 0.5920 1.2834 2.9046 2.4520 1.0033 0.7597 1.6369 3.5089 1.2719 8.3457 1.1047 1.4744 2.0596 13.9146 22.4362 4.9941 13.5911 13.3129 17.3448 12.6898 0.0112 9.1319 4.3281 5.3410 5.1804 12.9033 1.2423 26.7819 3.6694 4.5201 7.2204 11.4291 7.6053 24.9979 3.1150 2.4329 40.0515 1.9927 1.3896 7.6187 2.1393 11.3878 59.9644 72.2694 42.5289 9.2439 0.4507 4.4416 20.7341 10.6715 32.4792 19.1468 4.3082 11.5412 0.9974 13.0208 10.4893 14.8936 6.8675 8.1278 5.2928 12.7073 37.5189 47.6071 14.9241 35.6913 0.2969 10.1141 26.5513 3.1481 16.8099 22.8093 44.1712 33.6269 114.8107 0.3196 30.7105 72.7116 14.3098 111.8847 46.9799 38.6145 4.9154 3.2561 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1380.10 1386.16 1402.44 1412.17 1455.25 1460.98 1487.11 1512.58 1520.60 1529.75 1579.34 1581.38 1586.11 1611.68 1621.04 1624.90 1627.26 1628.81 1670.88 1697.98 1721.60 1729.38 1750.03 1765.04 1797.52 1803.54 1816.16 1854.47 1866.30 1869.25 1869.81 1881.97 1894.98 1906.59 1909.62 1931.61 1950.96 1967.35 1979.67 1981.82 2014.58 2022.56 2049.60 2053.83 2062.52 2090.22 2093.80 2127.33 2134.16 2139.22 2177.28 2193.91 2211.11 2217.10 2226.99 2259.59 2260.62 2261.73 2272.94 2287.36 2345.05 2345.30 2346.00 2356.49 2357.34 2360.26 2362.80 2363.58 2363.73 2376.51 2386.13 2408.45 2432.24 2441.57 2526.28 2535.40 2612.92 2620.13 2722.58 2758.43 2856.99 2866.95 4593.01 4601.62 4610.25 4623.52 4626.82 4655.43 4661.34 4666.76 4680.53 4692.89 4719.40 4724.02 4739.78 4760.72 4779.26 4794.43 4827.96 4838.79 4845.68 4848.24 4867.67 4885.26 4886.14 4891.32 4916.54 4927.46 0.530327 0.561203 0.562147 0.461592 -2009.379454 -2009.348578 -2009.347634 -2009.448189 3.372631D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCOC(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)Cn3c(=O)c4ccc(cc4nc3[S-])C(=O)OC C13118825 RHF 6-31G(d) (6D,10F) C1 508.154233 |X|Y|Z| 62.576063 37.602360 176.044622 74.544459 24 6 7 21 3 |36.858105| |12.579838|36.858105| |8.052069|13.406719|73.516695| |5.271823|8.098944|25.556762|36.858105| |4.618055|7.193162|15.313525|15.993422|73.516695| |4.062523|5.170111|14.409371|12.585947|14.060369|36.858105| |4.078213|4.895811|13.413897|9.055363|10.908966|17.543894|0.500000| |3.148164|3.914666|9.183872|7.566268|12.054630|12.444216|0.244484|36.858105| |2.644372|3.086837|6.957196|4.924934|7.845170|7.562187|0.188341|12.449025|36.858105| |2.601045|2.954536|6.629198|4.419748|6.884677|6.518395|0.159452|7.526262|12.448395|36.858105| |3.038049|3.390877|7.959341|5.013866|7.242057|7.703542|0.194367|6.556041|7.734509|13.057069|53.358707| |3.828653|4.504662|11.596818|7.587649|9.878647|12.361114|0.248773|7.555102|6.566357|7.840701|17.865697|36.858105| |2.930344|3.111566|7.133568|4.154664|6.029702|5.810083|0.172277|4.859516|5.715810|7.642452|18.800683|7.891316|36.858105| |3.316085|3.404711|7.901117|4.290058|6.065578|5.664746|0.182348|4.367169|4.655740|5.407175|11.523465|7.123537|15.833602|73.516695| |2.391111|2.500329|5.427724|3.168223|4.844172|4.119994|0.120491|3.841078|4.798212|6.365548|10.508755|5.031265|12.722036|14.395186|36.858105| |2.217329|2.281457|4.855545|2.790279|4.317059|3.503144|0.106699|3.303555|4.029789|4.671997|7.123008|3.921629|7.670779|11.736926|13.705932|36.858105| |1.912929|1.958284|4.055928|2.333625|3.701862|2.825920|0.084046|2.750770|3.324404|3.783088|5.384417|3.109860|5.059785|8.000250|7.909455|13.773871|36.858105| |1.778768|1.829198|3.749134|2.173956|3.495510|2.601620|0.074953|2.578580|3.122578|3.681981|5.060770|2.920188|4.435301|6.786296|6.806368|7.901929|13.677842|36.858105| |1.867723|1.938340|3.998852|2.339869|3.757754|2.826985|0.079327|2.807517|3.433798|4.352525|5.945431|3.306212|5.022058|7.235685|7.919323|6.898497|7.962724|13.708885|36.858105| |2.146490|2.249915|4.758761|2.803251|4.411060|3.510161|0.097618|3.412364|4.247554|5.932204|8.620649|4.342302|7.533067|9.629047|13.711984|7.956383|6.884251|7.896280|13.766821|36.858105| |1.559466|1.596665|3.210866|1.857575|3.035156|2.164964|0.062027|2.171389|2.569446|2.915952|3.925865|2.375343|3.277324|5.221747|4.413765|5.005816|7.522594|12.547861|7.542179|5.008894|36.858105| |1.495735|1.510292|3.005312|1.712264|2.798419|1.959666|0.056399|1.930423|2.217780|2.485321|3.447306|2.147077|2.900146|4.803953|3.720301|4.258853|5.970221|7.617823|5.434568|4.042770|12.999694|53.358707| |1.479757|1.486644|2.940839|1.665843|2.726800|1.887559|0.053761|1.843478|2.087669|2.374338|3.336524|2.100419|2.774477|4.615691|3.472942|3.734567|4.748131|6.070647|5.155531|3.911327|7.967308|18.823640|36.858105| |1.512755|1.528159|3.028952|1.724428|2.826443|1.958672|0.055100|1.918769|2.180219|2.534763|3.545647|2.214508|2.899975|4.728628|3.642318|3.693585|4.495793|6.115672|5.961537|4.371724|7.230802|11.474139|15.734571|73.516695| |1.401929|1.393624|2.726650|1.528743|2.509754|1.704957|0.048695|1.651197|1.833140|2.050366|2.912935|1.881272|2.410902|4.124268|2.884378|3.109115|3.745278|4.285955|3.775065|3.116897|5.121629|10.822128|13.059626|14.403267|36.858105| |1.363903|1.349572|2.619557|1.461856|2.408451|1.612090|0.045689|1.554001|1.702861|1.909901|2.728864|1.788941|2.225232|3.830034|2.586720|2.693305|3.084361|3.486256|3.286219|2.815915|3.904960|7.019626|7.656316|11.890489|13.596069|36.858105| |1.288457|1.266440|2.436409|1.351910|2.235078|1.474355|0.041866|1.417157|1.534711|1.698177|2.431340|1.620466|1.971206|3.444050|2.234392|2.334871|2.615640|2.842756|2.681600|2.374938|3.124926|5.406099|5.095416|8.041149|7.934484|13.943953|36.858105| |1.250504|1.226263|2.354883|1.304620|2.157810|1.420468|0.040627|1.366372|1.477541|1.613298|2.305406|1.542318|1.877770|3.310170|2.119891|2.264835|2.551411|2.694422|2.471256|2.202900|2.987889|5.240777|4.520114|6.782966|6.912218|7.962681|13.487839|36.858105| |1.278423|1.257734|2.428804|1.349731|2.227055|1.480464|0.042623|1.428708|1.557283|1.692133|2.408855|1.597929|1.981122|3.487471|2.268548|2.487127|2.876379|3.003384|2.651909|2.332446|3.420404|6.317564|5.112371|7.137686|7.941253|6.855775|7.864209|13.907747|36.858105| |1.354529|1.341907|2.616599|1.463102|2.404688|1.625306|0.046833|1.574643|1.740755|1.909282|2.707870|1.764555|2.249227|3.904846|2.654632|2.953517|3.568715|3.830666|3.255050|2.761589|4.585597|9.642170|7.822424|9.511696|13.715902|7.824013|6.759792|7.876206|13.460795|36.858105| |1.366539|1.359757|2.662959|1.495762|2.456493|1.672611|0.048570|1.630670|1.817926|1.970852|2.771241|1.794690|2.316323|4.014614|2.762661|3.187414|3.995146|4.145874|3.333685|2.814667|5.148852|11.029312|6.754587|8.403518|7.871483|5.155451|4.564309|5.234307|7.989468|14.047218|53.358707| |1.430565|1.436138|2.839011|1.608661|2.635310|1.823823|0.053022|1.792946|2.034883|2.217276|3.083821|1.959201|2.594587|4.412603|3.202208|3.789131|5.118518|5.456252|4.051032|3.284447|7.552045|18.315360|7.750367|9.512837|6.850912|4.556704|3.826105|4.036624|5.320315|8.274793|19.964743|36.858105| |1.416752|1.431478|2.834635|1.617696|2.657810|1.841036|0.054028|1.833225|2.095926|2.219829|3.032949|1.931170|2.537064|4.319572|3.089790|3.776377|5.064821|4.891388|3.622461|3.051048|6.224888|9.532980|4.736145|6.806517|4.226988|3.225052|2.857316|3.038864|3.800900|4.880486|9.842317|11.034722|388.023441| |1.172171|1.144190|2.178791|1.202671|1.997549|1.296435|0.037071|1.245879|1.333855|1.442087|2.059984|1.396719|1.663560|2.957735|1.840530|1.955651|2.156156|2.236093|2.076751|1.891764|2.431840|4.058113|3.339087|5.235251|4.485541|5.054326|7.527094|12.772569|7.778150|5.057403|5.366396|3.164708|18.180321|36.858105| |1.134238|1.105980|2.100996|1.159049|1.927910|1.246324|0.035765|1.199240|1.280988|1.372412|1.955879|1.331359|1.578764|2.820039|1.736978|1.861190|2.046902|2.090280|1.925444|1.765093|2.270045|3.743187|2.958112|4.623468|3.801694|3.990518|5.237721|7.986410|6.746928|4.494864|5.129645|3.011319|17.892220|15.988299|73.516695| |1.144861|1.115641|2.114353|1.165285|1.940504|1.248821|0.035520|1.198503|1.275759|1.382794|1.977730|1.349959|1.583554|2.815000|1.734272|1.812494|1.968961|2.054635|1.950437|1.794118|2.202698|3.575231|2.987758|4.873004|3.853252|4.634968|6.941306|8.086425|5.291649|3.990045|4.348168|2.692966|15.756186|14.303203|15.346912|73.516695| |1.077171|1.046956|1.971369|1.084440|1.812505|1.153849|0.032809|1.107702|1.171181|1.259767|1.798949|1.239078|1.431197|2.556022|1.548094|1.613881|1.733273|1.790034|1.707389|1.589812|1.901439|3.013283|2.451128|4.051093|3.009143|3.451673|4.587032|5.200687|3.986634|3.146328|3.620040|2.285958|13.845141|8.164807|13.003786|24.018159|36.858105| |17.546824|8.888894|10.220819|4.270929|7.109390|3.363717|0.092991|2.738788|2.328492|2.286127|3.546534|3.185013|2.514123|4.964528|2.106453|1.969558|1.726007|1.616573|1.692137|1.918612|1.433478|1.879973|1.370175|2.487860|1.305774|1.276084|1.212200|1.178081|1.200343|1.264359|1.732450|1.325852|9.336424|1.110602|1.914017|1.934506|1.028658|0.500000| |17.576293|8.852385|12.901270|4.901814|7.468011|3.995280|0.110091|3.068226|2.633601|2.673723|4.355237|4.045836|3.108284|6.311399|2.520053|2.309548|1.987235|1.856678|1.964881|2.272476|1.620377|2.122854|1.554897|2.837842|1.474235|1.441246|1.359552|1.312602|1.336225|1.416079|1.932096|1.483200|10.337494|1.227847|2.103505|2.137810|1.128696|0.300452|0.500000| |17.577385|8.853780|12.908106|4.901348|7.467055|3.991335|0.117442|3.092543|2.638061|2.565662|4.088317|3.679557|2.984087|6.153000|2.440301|2.304821|1.979306|1.815854|1.882951|2.155106|1.590484|2.082574|1.504126|2.712736|1.428127|1.381922|1.307674|1.276729|1.311531|1.389094|1.917175|1.473785|10.438783|1.197371|2.066737|2.070073|1.095773|0.300424|0.301282|0.500000| |8.810405|17.608579|16.531031|7.251888|12.923362|4.738688|0.118213|3.759829|2.970879|2.892360|4.446364|4.344578|2.927214|5.536824|2.382980|2.149658|1.863945|1.766031|1.890515|2.190628|1.548533|1.991349|1.449164|2.665739|1.357712|1.322033|1.240044|1.195011|1.220047|1.300559|1.785205|1.384051|9.758670|1.115622|1.912343|1.941761|1.025557|0.211511|0.211059|0.173000|0.500000| |8.811172|17.609251|16.538119|7.247382|12.913066|4.730968|0.127386|3.803856|2.976797|2.757130|4.163986|3.900972|2.822904|5.428838|2.315285|2.145687|1.857296|1.730824|1.817379|2.085179|1.522403|1.958033|1.407907|2.561550|1.321542|1.275948|1.200432|1.167835|1.201207|1.279603|1.773395|1.376361|9.842871|1.092686|1.884667|1.890758|1.000759|0.211543|0.172993|0.211089|0.302615|0.500000| |3.031937|3.821034|8.525697|7.038594|12.778134|8.880812|0.173635|17.538852|8.838941|6.724541|7.766935|6.777336|4.179036|6.662024|3.415219|2.914958|2.489738|2.392746|2.643555|3.178962|2.042664|2.479590|1.758393|3.281205|1.578731|1.498358|1.368121|1.312723|1.363779|1.497488|2.095276|1.684396|12.140371|1.199804|2.048911|2.062419|1.074053|0.074432|0.082583|0.080590|0.106827|0.102612|0.500000| |3.050919|3.807865|8.553242|6.854479|11.919014|8.812804|0.212895|17.559821|8.801009|5.485719|6.681738|5.494642|4.022782|6.702444|3.318660|2.988651|2.533955|2.355952|2.504039|2.947206|2.019201|2.459384|1.715363|3.144433|1.548166|1.454985|1.335493|1.296431|1.358813|1.490202|2.111506|1.699922|12.512924|1.188294|2.043513|2.029290|1.059375|0.074661|0.080467|0.084440|0.099910|0.107778|0.304346|0.500000| |2.341521|2.717792|5.863916|4.085426|6.917934|5.504246|0.138721|8.822934|17.527187|8.854105|7.640315|4.920353|4.448230|6.606462|4.058490|3.525273|3.054358|2.941000|3.218964|3.802938|2.485624|2.899740|2.000899|3.721307|1.755438|1.631303|1.471771|1.417888|1.494332|1.668789|2.376758|1.957332|14.444977|1.282367|2.192151|2.181935|1.128758|0.058302|0.064498|0.064632|0.073717|0.073906|0.215917|0.209885|0.500000| |2.598516|2.966412|6.671184|4.501142|7.028973|6.739950|0.197155|8.821632|17.515740|8.888622|9.402854|5.706307|5.987332|8.888969|5.149457|4.581897|3.688960|3.321202|3.511247|4.271632|2.708845|3.175608|2.158558|3.947741|1.894996|1.741010|1.570311|1.523988|1.620616|1.817946|2.615265|2.164597|16.139111|1.373884|2.354715|2.321002|1.197585|0.063453|0.071494|0.073637|0.077499|0.080227|0.173466|0.214619|0.302808|0.500000| |2.522270|2.890310|6.319863|4.251487|6.896408|5.740777|0.132964|6.767496|8.828081|17.520762|12.513671|7.098522|5.771934|7.856182|5.019785|3.811429|3.242087|3.273653|3.941864|5.149267|2.677044|3.136445|2.240720|4.308906|1.946135|1.837108|1.637177|1.545021|1.605600|1.799755|2.501826|2.048830|14.426487|1.386179|2.339254|2.379564|1.222201|0.062221|0.072355|0.067826|0.080781|0.074632|0.197133|0.138707|0.214973|0.173919|0.500000| |2.310888|2.559111|5.573719|3.569833|5.669508|4.888342|0.128508|5.499769|8.838002|17.700083|12.416820|5.678517|7.217964|8.918919|7.474139|5.377823|4.451946|4.452430|5.425629|7.500696|3.423980|3.831945|2.653350|5.064157|2.240923|2.060370|1.810739|1.717537|1.814134|2.075147|2.935264|2.469354|17.610874|1.521351|2.568460|2.580335|1.314678|0.057048|0.066113|0.063913|0.069430|0.066897|0.138739|0.123321|0.212095|0.216777|0.303233|0.500000| |4.404133|4.910518|12.817545|6.915081|8.885310|8.784519|0.217215|5.505378|4.910977|5.690988|12.535431|17.711088|7.618222|14.577586|4.823736|3.858253|3.051111|2.836132|3.168658|4.101448|2.314873|2.904904|2.105958|3.927333|1.908222|1.825539|1.661777|1.581540|1.632118|1.791838|2.464810|1.957451|13.584845|1.435606|2.430898|2.471353|1.276670|0.098861|0.135428|0.117528|0.128662|0.113064|0.139529|0.123202|0.108125|0.127634|0.145238|0.127646|0.500000| |3.617431|4.331199|10.290060|6.945726|10.054543|8.820066|0.174743|6.852611|5.827063|7.148070|12.573321|17.507523|5.873396|9.292457|4.270767|3.362752|2.780925|2.695302|3.103561|3.989126|2.234498|2.752263|2.001076|3.792436|1.795789|1.724993|1.564262|1.479793|1.521798|1.673704|2.299514|1.836172|12.785086|1.343713|2.271536|2.323084|1.201700|0.085653|0.106875|0.093367|0.123548|0.103925|0.201090|0.139810|0.130662|0.133236|0.215377|0.145483|0.301000|0.500000| |2.343958|2.393701|5.119438|2.901324|4.444120|3.627297|0.115420|3.340327|3.944004|4.276082|6.663443|3.890253|7.163289|12.702271|8.934596|17.731731|8.921461|5.629669|4.966653|5.659399|4.082411|4.981559|3.226688|5.567425|2.802524|2.452766|2.175471|2.143186|2.356922|2.737339|4.052352|3.444392|25.267001|1.878319|3.211117|3.090673|1.561757|0.057526|0.067262|0.068849|0.061662|0.062867|0.080347|0.085612|0.094659|0.129008|0.096903|0.128914|0.108318|0.090700|0.500000| |1.805717|1.835471|3.756144|2.146979|3.430800|2.550499|0.076567|2.488693|2.943750|3.205949|4.526456|2.728012|4.123912|6.879542|5.632848|8.916540|17.734918|8.929494|5.661981|4.959237|7.005066|8.352172|4.583883|7.272814|3.767805|3.036835|2.620829|2.628231|3.044148|3.792187|6.125098|5.936912|46.148825|2.226718|3.805055|3.562256|1.767447|0.045535|0.051765|0.052276|0.048341|0.048751|0.062607|0.064965|0.076105|0.091558|0.077416|0.101804|0.074909|0.068071|0.214740|0.500000| |1.740997|1.807189|3.677368|2.154719|3.508331|2.549738|0.070418|2.559240|3.071473|3.852780|5.140781|2.971900|4.090323|6.060956|5.642264|4.968064|5.661306|8.937765|17.740411|8.934472|7.021807|7.110538|5.332896|12.150769|3.843568|3.426582|2.755836|2.488704|2.628313|3.211517|4.360694|3.818803|23.709675|2.085726|3.409625|3.513823|1.724996|0.044164|0.050927|0.048400|0.049438|0.047123|0.068355|0.063683|0.081852|0.085212|0.101756|0.130033|0.079080|0.079761|0.107812|0.124498|0.500000| |2.198959|2.326594|4.914098|2.921023|4.622755|3.630930|0.097128|3.538855|4.314904|6.450158|9.307564|4.708727|6.934268|8.932556|8.900936|5.649403|4.957472|5.632194|8.934799|17.709745|4.090846|4.663861|3.440106|7.004904|2.816770|2.626812|2.236672|2.054316|2.137210|2.481617|3.382854|2.828467|18.654420|1.782404|2.949529|3.042777|1.524824|0.054644|0.065115|0.060413|0.063850|0.059412|0.094344|0.083218|0.107830|0.113924|0.168642|0.214502|0.121415|0.125932|0.124276|0.107624|0.215933|0.500000| |1.499541|1.541894|3.085427|1.794549|2.954959|2.078924|0.058705|2.105400|2.486355|2.850345|3.770694|2.293641|3.046374|4.806884|3.989757|4.199389|5.604285|8.930356|7.345961|4.800146|17.658091|12.566442|7.596837|14.381776|4.868273|3.894807|3.083972|2.874462|3.191816|4.159136|5.984044|5.822269|34.505178|2.350660|3.868729|3.842384|1.866930|0.038427|0.043331|0.042177|0.041857|0.040816|0.055748|0.054208|0.067682|0.071374|0.074322|0.093161|0.061692|0.060918|0.096425|0.141296|0.225838|0.114213|0.500000| |1.508188|1.549255|3.109023|1.807044|2.966585|2.103628|0.060636|2.135740|2.537460|2.794394|3.695408|2.257463|3.053842|4.906026|3.994807|4.673822|6.911563|8.917909|5.826638|4.294442|17.731063|12.609924|5.858777|9.286817|4.297559|3.346253|2.789240|2.744768|3.183725|4.145689|6.736420|7.427647|54.867080|2.281552|3.853489|3.655150|1.796953|0.038588|0.043196|0.042889|0.041613|0.041337|0.055542|0.055821|0.068947|0.075302|0.070853|0.090946|0.060723|0.058821|0.110092|0.199941|0.149107|0.099124|0.301370|0.500000| |1.388371|1.377990|2.676309|1.497045|2.468821|1.651194|0.046428|1.592775|1.745468|1.980881|2.829045|1.851360|2.284470|3.893949|2.651121|2.683917|3.025079|3.501364|3.454900|2.960805|3.826140|6.426340|7.113027|13.285943|8.935527|17.744068|8.938508|5.634898|4.945699|5.620488|5.700241|3.959086|20.795645|4.090652|5.910818|7.092187|3.094925|0.036068|0.040905|0.038849|0.037684|0.036063|0.042907|0.041189|0.046475|0.049127|0.053396|0.059364|0.052402|0.049975|0.067175|0.080566|0.103119|0.078072|0.109881|0.089672|0.500000| |1.253779|1.229540|2.351870|1.302248|2.159714|1.409861|0.039852|1.353281|1.454597|1.608739|2.305608|1.551262|1.850680|3.241387|2.065557|2.125344|2.333554|2.526355|2.440229|2.199146|2.721491|4.497789|4.130359|6.923615|5.636210|8.957848|17.772879|8.819537|5.623775|4.897259|4.943315|3.157523|17.524230|6.934500|8.601808|14.023866|5.102746|0.032886|0.036822|0.035221|0.033564|0.032342|0.036472|0.035427|0.038790|0.041103|0.043397|0.047312|0.044288|0.041855|0.055263|0.064375|0.070153|0.058413|0.075616|0.067967|0.213787|0.500000| |1.238741|1.216853|2.342651|1.300518|2.149682|1.421461|0.041087|1.373341|1.491637|1.602678|2.276080|1.519135|1.868791|3.311706|2.118577|2.343903|2.690646|2.741171|2.407537|2.145404|3.095557|5.507798|4.162023|5.971576|5.659540|4.947163|5.604230|8.945737|17.770084|8.881408|10.010700|4.901186|26.871361|7.204817|13.370615|8.570210|3.882094|0.032377|0.035813|0.035427|0.032705|0.032411|0.036340|0.036495|0.039819|0.043307|0.042148|0.047548|0.043087|0.040099|0.062663|0.080559|0.065664|0.054617|0.079593|0.082473|0.107472|0.123661|0.500000| |1.061561|1.031337|1.936370|1.064691|1.782791|1.128952|0.031981|1.083344|1.141729|1.230468|1.757573|1.215207|1.390387|2.480509|1.495790|1.544160|1.646266|1.707550|1.648461|1.542944|1.800895|2.816148|2.306706|3.885890|2.777305|3.242528|4.201924|4.377997|3.410333|2.813982|3.258434|2.100218|12.789910|5.943578|9.268266|16.953629|17.639848|0.028216|0.030953|0.029898|0.028149|0.027351|0.029280|0.028746|0.030584|0.032292|0.033312|0.035569|0.034803|0.032877|0.041436|0.046245|0.046505|0.041416|0.049503|0.047121|0.083323|0.136534|0.090588|0.500000| |1.026480|1.000874|1.883434|1.039441|1.741916|1.106022|0.031447|1.067052|1.129739|1.209970|1.716946|1.181987|1.361347|2.423846|1.474262|1.540977|1.661788|1.717742|1.631755|1.514286|1.842163|2.908976|2.335809|3.848071|2.838246|3.173195|4.084851|4.735531|3.810407|3.014770|3.531332|2.228797|13.650733|7.215805|12.968725|16.449971|17.622440|0.027258|0.029773|0.029015|0.027236|0.026655|0.028748|0.028421|0.030355|0.032116|0.032615|0.035130|0.033690|0.031861|0.041453|0.047292|0.045862|0.040310|0.050363|0.048781|0.079061|0.121739|0.105999|0.298628|0.500000| 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