Version2.4 2021-06-06T21:21:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCc1cc(c(cc1COc2cccnc2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)[O-] C13800685 RHF 6-31G(d) (6D,7F) CCCCc1cc(c(cc1COc2cccnc2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)[O-] C01[X(C29H33N2O4S1)] 201 C1 610 CCCCc1cc(C(=O)N[C@H](C(=O)[O-])CCSC)c(cc1COc1cccnc1)c1ccccc1C CCCCc1cc(C(=O)N[C@H](C(=O)[O-])CCSC)c(cc1COc1cccnc1)c1ccccc1C CCCCc1cc(C(=O)N[C@@H](CCSC)C([O-])=O)c(cc1COc2cccnc2)c3ccccc3C InChIKey=SDTSWKWFVJARDM-MHZLTWQESA-M InChI=1S/C29H34N2O4S/c1-4-5-10-21-16-26(28(32)31-27(29(33)34)13-15-36-3)25(24-12-7-6-9-20(24)2)17-22(21)19-35-23-11-8-14-30-18-23/h6-9,11-12,14,16-18,27H,4-5,10,13,15,19H2,1-3H3,(H,31,32)(H,33,34)/p-1/t27-/m0/s1 InChI=1/C29H34N2O4S/c1-4-5-10-21-16-26(28(32)31-27(29(33)34)13-15-36-3)25(24-12-7-6-9-20(24)2)17-22(21)19-35-23-11-8-14-30-18-23/h6-9,11-12,14,16-18,27H,4-5,10,13,15,19H2,1-3H3,(H,31,32)(H,33,34)/p-1/t27-/m0/s1/fC29H33N2O4S/h31H/q-1 CCCCc1cc(c(cc1COc2cccnc2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)[O-] C01[X(C29H33N2O4S1)] 201 C01 610 CCCCc1cc(C(=O)N[C@H](C(=O)[O-])CCSC)c(cc1COc1cccnc1)c1ccccc1C CCCC[C]1[CH][C]([C]([CH][C]1CO[C]1[CH][CH][CH][N][CH]1)[C]1[CH][CH][CH][CH][C]1C)[C]([NH][C@H]([C]([O])[O])CCSC)=O CCCC[C]1[CH][C]([C]([CH][C]1CO[C]2[CH][CH][CH][N][CH]2)[C]3[CH][CH][CH][CH][C]3C)C(=O)N[C@@H](CCSC)[C]([O])[O] InChIKey=WMCKUVMLNFEODY-MHZLTWQESA-N InChI=1S/C29H33N2O4S/c1-4-5-10-21-16-26(28(32)31-27(29(33)34)13-15-36-3)25(24-12-7-6-9-20(24)2)17-22(21)19-35-23-11-8-14-30-18-23/h6-9,11-12,14,16-18,27H,4-5,10,13,15,19H2,1-3H3,(H,31,32)/t27-/m0/s1 InChI=1/C29H33N2O4S/c1-4-5-10-21-16-26(28(32)31-27(29(33)34)13-15-36-3)25(24-12-7-6-9-20(24)2)17-22(21)19-35-23-11-8-14-30-18-23/h6-9,11-12,14,16-18,27H,4-5,10,13,15,19H2,1-3H3,(H,31,32)/t27-/m0/s1/f/h31H 3884.6806117042 -1923.3319938 1-A 25528.6140 135 475 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.83015 -20.54188 -20.40880 -20.32636 -20.31717 -15.51928 -15.44908 -11.25466 -11.23654 -11.23486 -11.21445 -11.21405 -11.19796 -11.19437 -11.17053 -11.16667 -11.16524 -11.16266 -11.16206 -11.16119 -11.16040 -11.15869 -11.15601 -11.15491 -11.15248 -11.15200 -11.15102 -11.14885 -11.14549 -11.14291 -11.14134 -11.13842 -11.13821 -11.11758 -11.11542 -11.09963 -8.84048 -6.52352 -6.52209 -6.52009 -1.37444 -1.27346 -1.21521 -1.21244 -1.11713 -1.10224 -1.09416 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5.9765 0.8757 0.9104 0.8133 1.6884 3.2556 2.4472 3.6531 7.2419 6.1147 17.6956 1.1229 0.1850 2.7263 23.8999 0.5783 17.0944 1.4336 7.7508 1.9012 3.9798 2.9675 2.4314 0.7937 2.9889 0.6015 4.4966 20.3879 17.6065 4.4839 4.5660 0.3958 1.4096 4.1971 3.5097 4.9648 2.4478 0.4720 6.2631 7.7438 4.0884 0.9765 0.9051 0.1647 26.3033 0.1181 13.1440 10.6834 4.0458 27.8784 1.0916 3.9677 1.5583 1.0582 2.4823 3.7416 6.8381 6.6570 11.6231 3.3688 3.8580 15.2647 1.4212 2.1765 6.5875 4.7254 0.9905 7.9163 0.9806 3.2062 6.8498 14.3052 6.4778 12.8733 4.9578 8.7445 2.2895 8.6989 10.7184 7.2403 17.0747 31.7009 1.0851 2.0862 7.2456 3.2954 7.1993 2.8281 6.7134 3.8660 2.1850 17.3841 5.2906 2.4944 0.9682 22.7481 8.3581 40.1127 22.3507 15.7316 3.9785 2.1492 20.4945 5.2748 10.4892 4.5044 3.4440 2.7522 2.1876 4.4221 2.7529 33.1106 12.3331 11.6624 20.7386 32.1329 106.9961 2.9354 7.1836 40.6167 36.0260 11.7039 194.8922 51.6527 195.4665 58.5533 123.2513 127.5004 41.4275 43.5871 22.4137 31.9811 48.2447 100.6315 30.6659 65.1565 77.4014 118.6845 52.0848 119.4179 7.4086 53.3361 115.2965 65.8129 111.8012 124.4433 209.4275 109.6465 74.2861 144.6062 66.9871 29.9957 0.7480 0.7494 0.7268 0.7488 0.7485 0.7273 0.7182 0.7498 0.7278 0.7488 0.7345 0.7454 0.6654 0.7463 0.7303 0.7474 0.6995 0.7274 0.7017 0.7500 0.4847 0.2065 0.7205 0.6011 0.6867 0.4398 0.5179 0.4701 0.0742 0.3875 0.5941 0.6691 0.7500 0.6211 0.7414 0.4818 0.7498 0.7038 0.7489 0.5840 0.1288 0.4496 0.5860 0.5968 0.2492 0.4100 0.7500 0.5152 0.5207 0.2743 0.7376 0.1449 0.6996 0.7159 0.6477 0.7144 0.6904 0.5272 0.3817 0.0074 0.5556 0.6470 0.6803 0.2015 0.7208 0.5010 0.6512 0.6304 0.7274 0.1005 0.3426 0.7226 0.6542 0.2868 0.7499 0.2065 0.1843 0.2854 0.3938 0.7444 0.6268 0.6947 0.1295 0.1894 0.1039 0.7469 0.6866 0.6364 0.6721 0.7308 0.6094 0.1195 0.5693 0.1531 0.4073 0.6993 0.3805 0.5896 0.0713 0.2495 0.5527 0.5280 0.6669 0.7004 0.1420 0.5694 0.7474 0.1248 0.6910 0.6432 0.3903 0.5960 0.7426 0.5109 0.3007 0.1898 0.6733 0.7384 0.1710 0.3682 0.1661 0.2401 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0.8378 0.6675 0.7888 0.7733 0.8422 0.1826 0.5103 0.8390 0.7909 0.4457 0.8571 0.3422 0.3112 0.4441 0.5651 0.8535 0.7706 0.8199 0.2293 0.3184 0.1882 0.8551 0.8142 0.7778 0.8039 0.8445 0.7573 0.2136 0.7255 0.2656 0.5789 0.8230 0.5513 0.7418 0.1331 0.3993 0.7119 0.6911 0.8002 0.8238 0.2487 0.7256 0.8555 0.2219 0.8173 0.7829 0.5615 0.7469 0.8523 0.6763 0.4624 0.3191 0.8048 0.8495 0.2920 0.5382 0.2848 0.3872 0.3631 0.2849 0.8274 0.4005 0.8492 0.3717 0.2689 0.3256 0.7662 0.4450 0.5558 0.4872 0.7032 0.6757 0.5785 0.8024 0.6440 0.8231 0.7278 0.7432 0.8138 0.6455 0.8530 0.8031 0.8050 0.8287 0.8517 0.8316 0.6857 0.8571 0.8279 0.8258 0.8553 0.8042 0.7873 0.4462 0.7461 0.8537 0.2170 0.6393 0.6286 0.6105 0.6791 0.8438 0.6499 0.3886 0.5056 0.4709 0.6589 0.1206 0.4076 0.3090 0.3945 0.0084 0.0297 0.8409 0.6442 0.1325 0.8219 0.3112 0.7633 0.8518 0.8564 0.8243 0.8187 0.4035 0.8089 0.8342 0.8559 0.8569 0.6881 0.5323 0.3972 0.2087 0.5706 0.2113 0.2831 0.4126 0.2003 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 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 6 8 6 6 6 6 7 6 6 6 6 6 6 6 6 6 8 7 6 1 6 6 16 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 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14319.1226 35389.4299 42451.7426 0.99995 -0.00493 0.00884 0.00501 0.99995 -0.00821 -0.00879 0.00825 0.99993 1 0.00605 0.00245 0.00204 0.12604 0.05100 0.04251 14.66 21.09 29.45 34.36 42.14 46.97 56.77 60.25 68.86 69.47 86.97 102.71 109.29 127.90 135.20 143.17 144.72 155.53 187.54 196.64 217.57 236.07 250.14 267.07 271.73 277.24 305.73 308.47 334.58 354.10 366.45 376.74 391.65 413.20 437.98 458.81 492.75 532.21 566.85 572.77 610.70 625.96 672.57 675.15 713.49 727.85 741.38 777.53 781.34 834.11 841.70 895.90 909.12 936.01 952.65 983.06 1017.16 1038.64 1067.43 1107.13 1127.44 1130.41 1137.84 1138.48 1165.79 1176.39 1198.13 1214.73 1219.70 1234.35 1238.52 1247.12 1270.79 1280.28 1310.63 1326.38 1363.32 1404.12 1406.45 1439.93 1461.21 1469.07 1476.87 1484.64 1504.67 1528.42 1530.98 1535.36 1544.48 1548.11 1567.44 1572.50 1587.44 1594.30 1597.09 1628.82 1635.83 1654.49 1656.67 1660.11 1663.56 1681.07 1689.17 1698.47 1717.04 1726.70 1749.75 1756.13 1765.45 1784.57 1812.86 1834.41 1848.93 1858.37 1883.10 1910.00 1917.23 1928.81 1942.82 1949.97 1994.11 2017.80 2024.35 2033.89 2040.30 2053.25 2059.89 2061.29 2075.51 2089.44 2094.71 2146.36 2154.38 2156.64 2180.34 2195.97 2215.64 2219.24 2236.58 2253.26 2261.52 2275.13 2295.91 2313.97 2329.74 2335.65 2351.89 2354.17 2356.72 2358.69 2358.87 2365.31 2367.29 2376.22 2386.94 2390.41 2393.70 2406.38 2413.10 2435.81 2522.05 2548.62 2571.68 2598.15 2602.43 2617.30 2746.29 2763.50 4576.08 4593.53 4597.63 4602.60 4611.97 4612.36 4616.81 4619.50 4622.63 4641.61 4662.83 4673.59 4675.60 4681.50 4684.73 4697.00 4711.64 4721.64 4731.08 4732.41 4741.79 4762.72 4806.97 4828.09 4837.15 4837.22 4846.17 4864.13 4867.96 4891.69 4895.41 4912.71 5426.07 0.610478 0.644921 0.645865 0.536739 -1922.721516 -1922.687073 -1922.686129 -1922.795254 3.660070D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCCCc1cc(c(cc1COc2cccnc2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)[O-] C13800685 RHF 6-31G(d) (6D,10F) C1 505.216105 |X|Y|Z| 78.566949 130.909360 47.099325 78.537142 20 6 7 8 18 1 1 |36.858105| |12.464016|36.858105| |7.475131|12.454311|36.858105| |4.857151|7.454242|12.398476|36.858105| |3.737326|4.868599|7.473979|12.550510|36.858105| |3.309004|4.070775|5.728426|7.617203|13.733954|36.858105| |2.729175|3.179036|4.173392|5.011683|7.831421|13.734505|36.858105| |2.516365|2.888156|3.728869|4.399632|6.770666|7.945287|13.684093|36.858105| |2.695197|3.143871|4.124794|4.988777|7.931121|6.975469|7.971210|13.702474|36.858105| |3.236935|3.978933|5.553399|7.437596|13.648852|7.977989|6.820117|7.832463|13.734942|36.858105| |3.275989|4.007973|5.178391|6.400222|7.562956|5.037880|4.422043|4.989624|7.545369|12.574058|36.858105| |2.735586|3.155832|3.849908|4.370030|5.160109|3.987287|3.836316|4.643269|7.015764|7.958044|13.555552|73.516695| |2.552776|2.876510|3.310763|3.607073|3.910736|3.149795|3.021606|3.505497|4.702777|5.197564|8.002015|25.202801|36.858105| |2.186885|2.396121|2.709928|2.892387|3.165672|2.692030|2.676119|3.144586|4.011677|4.047270|5.247558|14.554657|13.695458|36.858105| |2.014300|2.171579|2.376824|2.492208|2.633041|2.278293|2.249100|2.563842|3.117488|3.187364|4.000888|9.449117|7.998417|13.849887|36.858105| |2.098206|2.261274|2.412707|2.510602|2.555952|2.189310|2.112623|2.344100|2.821518|3.004836|3.857528|8.347470|7.019067|8.007673|13.708322|36.858105| |2.390612|2.620664|2.776024|2.901573|2.874360|2.397351|2.257995|2.470543|3.013734|3.361432|4.561413|9.321986|7.997374|6.900451|8.031995|14.504166|53.358707| |2.688842|3.036356|3.336420|3.574557|3.587297|2.876736|2.674838|2.957706|3.767993|4.384009|6.682154|13.956009|13.737139|8.001666|7.041904|8.378877|19.561002|36.858105| |2.125006|2.363581|2.906339|3.266972|4.415355|5.014519|7.492638|12.681734|7.652238|5.030859|3.803144|6.841458|3.073647|2.918862|2.415708|2.170048|3.028452|2.584950|36.858105| |1.896070|2.112094|2.519943|2.872534|3.707981|4.087058|5.534178|7.653625|5.847492|4.194278|3.379372|6.200810|2.878463|2.790504|2.341437|2.097993|2.899078|2.438899|13.703231|36.858105| |1.680754|1.839636|2.145981|2.381521|2.932350|3.184452|4.052967|5.046322|4.216635|3.255402|2.772966|5.191246|2.511586|2.511778|2.157090|1.925150|2.617527|2.152625|7.882800|13.779182|36.858105| |1.636502|1.762253|2.050007|2.212593|2.685968|2.919080|3.670341|4.448311|3.750623|2.952825|2.545301|4.788160|2.345573|2.372247|2.055841|1.831922|2.475204|2.018573|6.849161|7.980691|13.765973|36.858105| |1.776027|1.899577|2.241313|2.377448|2.920574|3.206024|4.105004|5.026144|4.122050|3.204696|2.711871|5.065534|2.447580|2.449995|2.105745|1.879187|2.553854|2.098698|7.953952|6.936266|7.960213|13.775568|36.858105| |2.037792|2.205351|2.679551|2.864705|3.680755|4.127193|5.647663|7.523013|5.580149|4.081011|3.267566|5.982622|2.781049|2.704062|2.274765|2.038088|2.812368|2.360262|13.615984|7.896627|6.797716|7.858041|13.682203|36.858105| |2.237114|2.375265|2.923370|2.984314|3.770819|4.211628|5.401713|6.357335|5.125630|4.054007|3.268602|5.859580|2.741212|2.631783|2.230052|2.020528|2.808913|2.357995|7.460018|4.987554|4.413812|5.015859|7.588738|12.580984|36.858105| |2.407620|2.719378|3.364757|3.817376|5.016333|7.625571|12.579991|7.495060|5.014677|4.424451|3.273321|5.250739|2.444784|2.229212|1.922449|1.813354|2.606830|2.206551|6.330413|5.113258|4.019856|3.724022|4.126345|5.318111|5.021079|36.858105| |2.122929|2.389225|2.856881|3.273480|4.128042|5.627309|8.048861|6.172768|4.353549|3.799706|2.933307|4.810425|2.276915|2.105230|1.830129|1.723191|2.458900|2.059600|5.968793|5.516775|4.412183|3.922389|4.079801|4.881591|4.246315|15.782337|73.516695| |2.496926|2.747604|3.367113|3.584151|4.402844|6.347779|7.959678|5.466219|4.092929|3.800271|2.930666|4.702373|2.232636|2.043587|1.784468|1.695729|2.438162|2.044056|4.833983|3.928137|3.315739|3.246529|3.705843|4.622660|4.910694|14.245131|14.964815|53.358707| |2.177625|2.332745|2.734744|2.838969|3.296365|4.287667|5.036778|4.012359|3.174426|2.952182|2.398411|3.941075|1.919256|1.788035|1.585462|1.508856|2.149903|1.772032|3.905330|3.366697|3.023876|3.049985|3.434788|3.960726|4.176163|7.699273|11.718283|17.799424|36.858105| |1.972581|2.116860|2.463346|2.595916|3.041575|3.863119|4.736209|3.980899|3.106018|2.810801|2.299256|3.843424|1.876738|1.767324|1.567584|1.482270|2.096453|1.721298|4.132195|3.666782|3.370750|3.420862|3.793182|4.222528|4.192609|7.340348|13.005523|12.488699|17.579700|0.500000| |2.118966|2.265726|2.572948|2.667752|2.953045|3.741295|4.030086|3.236109|2.689538|2.594208|2.161632|3.520328|1.740330|1.616666|1.450506|1.396157|1.997986|1.634479|3.082554|2.784652|2.531473|2.506659|2.717695|3.036847|3.144610|5.584076|9.327026|10.406002|12.431987|0.246632|36.858105| |2.021143|2.206174|2.480183|2.667577|2.942622|3.722869|3.978215|3.188789|2.661307|2.577628|2.152579|3.492041|1.728883|1.602438|1.439701|1.389339|1.992101|1.629239|3.022350|2.841745|2.567205|2.460485|2.575334|2.849577|2.813182|5.513397|10.354118|8.433051|7.457311|0.191781|12.474252|36.858105| |1.881343|2.029800|2.197097|2.327973|2.449347|2.931745|2.971349|2.485069|2.172733|2.155628|1.862021|3.025038|1.525710|1.417404|1.290779|1.258175|1.806076|1.460661|2.354720|2.256601|2.079725|2.000022|2.067361|2.239309|2.229942|3.667384|6.772837|5.453698|4.562389|0.118830|6.886376|10.436677|388.023441| |1.758199|1.926075|2.068515|2.253620|2.365412|2.775510|2.808319|2.395541|2.119004|2.104097|1.834324|2.986542|1.512827|1.406535|1.284257|1.254046|1.800046|1.452378|2.275931|2.252449|2.077670|1.952361|1.967667|2.111985|2.044422|3.355912|6.524298|4.589795|3.573744|0.098065|4.557938|6.853382|74.888807|36.858105| |2.163400|2.247229|2.613364|2.596648|2.951619|3.627281|4.102477|3.504341|2.890252|2.702223|2.249996|3.746474|1.843941|1.732287|1.544621|1.468733|2.082463|1.704918|3.475132|2.950659|2.725876|2.866143|3.340633|3.783675|4.349645|5.247733|7.970040|10.591604|12.161803|0.244893|7.500535|4.856552|25.586744|2.852311|36.858105| |1.933387|1.986033|2.253022|2.233457|2.484314|2.956535|3.283058|2.903155|2.455918|2.305760|1.967263|3.311260|1.653985|1.568745|1.413238|1.346346|1.898942|1.538534|2.949045|2.596381|2.470904|2.623954|2.990933|3.222708|3.591426|4.074824|6.632566|7.297426|8.091955|0.199911|6.599229|4.434380|24.939464|2.751711|15.563976|73.516695| |2.396337|2.465590|2.925241|2.829958|3.238905|3.932212|4.380725|3.784361|3.162871|2.971658|2.461473|4.087594|1.998673|1.868653|1.656662|1.572943|2.235535|1.840692|3.653479|2.988909|2.721141|2.879240|3.459266|4.071038|5.127230|5.121301|7.364414|10.107873|8.008463|0.173230|5.509940|3.984001|21.902890|2.529912|15.367996|15.164929|73.516695| |17.534556|8.773990|6.772008|4.486376|3.619881|3.153561|2.658687|2.513543|2.736974|3.273163|3.407920|5.140647|2.730149|2.337325|2.157414|2.253732|3.501774|2.889101|2.136658|1.898084|1.688280|1.653405|1.803043|2.067671|2.289580|2.323488|3.643768|3.263907|2.094749|0.053093|2.006192|1.902865|12.488880|1.643789|2.106080|3.350163|4.188235|0.500000| |17.544221|8.778753|6.780284|4.495676|3.627222|3.361902|2.790328|2.527998|2.639795|3.096714|3.014186|4.537267|2.353871|2.046908|1.878754|1.929794|2.942506|2.423174|2.146026|1.900761|1.689453|1.656476|1.810343|2.080047|2.314607|2.508575|3.896536|3.631288|2.339768|0.058122|2.288228|2.146180|14.215846|1.834170|2.353954|3.729668|4.671966|0.301832|0.500000| |17.539186|8.768613|5.454046|4.034096|3.166465|2.846346|2.392913|2.220120|2.365750|2.793245|2.865302|4.337987|2.322304|2.011920|1.882061|1.980402|3.065540|2.481041|1.905538|1.724601|1.542441|1.500778|1.614647|1.828706|1.984499|2.148226|3.421415|3.021935|1.970582|0.049934|1.943349|1.869882|12.601592|1.668289|1.954920|3.147181|3.795064|0.301539|0.301517|0.500000| |8.858146|17.496316|8.847387|6.845309|4.536723|3.672869|2.935613|2.743801|3.061226|3.911397|4.215217|5.870940|3.086788|2.531935|2.315213|2.460080|3.972385|3.384411|2.263496|2.051223|1.791449|1.706206|1.821728|2.097794|2.224631|2.498308|3.970117|3.365473|2.116232|0.054131|2.051324|2.023001|13.297369|1.805069|2.030881|3.218122|3.926833|0.210627|0.172962|0.212679|0.500000| |8.861870|17.508557|8.859489|6.872628|4.549070|4.010273|3.113669|2.761892|2.927180|3.620777|3.532705|5.019535|2.573365|2.175496|1.981817|2.056551|3.208976|2.696733|2.274179|2.054228|1.792585|1.709356|1.829005|2.110361|2.247174|2.730505|4.300309|3.768824|2.367490|0.059442|2.353062|2.320351|15.424131|2.064436|2.248411|3.547172|4.313719|0.172955|0.210768|0.212752|0.303885|0.500000| |6.868736|8.847077|17.533602|8.862615|6.890909|6.170744|4.477323|3.820675|3.991874|5.015531|4.353088|6.073975|2.928541|2.470888|2.172245|2.174214|3.326594|2.881193|2.991739|2.552552|2.179460|2.103799|2.328884|2.804209|3.135308|3.703339|5.440881|5.270375|3.103863|0.075820|2.912956|2.738773|17.069090|2.203116|2.993406|4.515771|6.061944|0.169073|0.203914|0.140332|0.173530|0.211437|0.500000| |6.869582|8.850545|17.511527|8.813047|6.854306|5.120818|3.994044|3.774935|4.354766|5.889867|5.876838|7.798220|3.762734|3.034569|2.635053|2.667857|4.199397|3.769688|2.968543|2.547405|2.177853|2.098384|2.314533|2.775883|3.076296|3.180244|4.816614|4.311098|2.595114|0.065659|2.392705|2.283877|14.315818|1.896394|2.531479|3.891075|5.111813|0.203712|0.169253|0.140324|0.211299|0.173670|0.304736|0.500000| |4.539520|6.894968|8.836596|17.529352|8.819677|5.674408|4.184339|3.920079|4.649678|6.960377|7.276534|8.439888|4.022993|3.124129|2.704269|2.779889|4.502143|4.159382|3.007694|2.718062|2.274623|2.099726|2.224052|2.632064|2.692078|3.266459|5.159713|4.122247|2.472059|0.063947|2.337087|2.363866|14.926522|2.070506|2.276450|3.539138|4.367631|0.119389|0.111464|0.108798|0.207842|0.172881|0.173828|0.209479|0.500000| |4.541949|6.865043|8.871743|17.541129|8.942103|7.262455|4.775849|3.991169|4.235219|5.653348|4.848692|6.378708|3.051067|2.523025|2.213339|2.234961|3.471499|3.045392|3.044512|2.731956|2.282346|2.111697|2.245500|2.668541|2.746719|3.857057|5.965423|4.959723|2.910567|0.073465|2.821406|2.883094|18.131229|2.486930|2.606300|4.004646|4.943161|0.111321|0.120089|0.108685|0.170489|0.207716|0.213265|0.173668|0.305460|0.500000| |3.437956|4.234549|5.701224|7.140733|8.952291|17.704375|8.975254|5.660669|5.003973|5.664734|4.102294|5.890625|2.730262|2.361523|2.043305|1.988474|2.964920|2.563064|4.087001|3.469765|2.812967|2.611530|2.845567|3.528717|3.657740|7.167864|9.591717|9.129704|4.573247|0.110136|4.218000|4.224473|23.729528|3.096486|3.783388|5.481716|7.145809|0.088230|0.099275|0.082544|0.102922|0.121583|0.182036|0.132676|0.145341|0.220482|0.500000| |2.447317|2.790817|3.512285|4.067427|5.652112|5.009464|5.674956|8.974634|17.773117|8.957914|7.025577|14.584322|5.370493|4.787840|3.559309|3.096049|4.385430|4.017873|7.184983|5.924283|4.433893|3.949718|4.268800|5.521772|4.884082|4.088322|6.610380|4.681745|2.795737|0.077291|2.386416|2.360224|13.931149|1.922625|2.600494|4.006004|5.032419|0.069993|0.066180|0.060403|0.076826|0.071882|0.093523|0.105286|0.110216|0.097313|0.108463|0.500000| |3.850150|4.712494|6.161775|6.740243|6.847049|4.641248|3.959724|4.252209|5.817844|8.855052|17.561192|16.617520|7.152783|4.812690|3.852338|3.855149|6.390634|6.812404|3.330585|2.929246|2.464342|2.314815|2.497439|2.984670|3.106443|3.023232|4.762890|3.818125|2.316204|0.060951|2.102902|2.066591|12.854302|1.760500|2.213338|3.446722|4.355499|0.114651|0.095946|0.091696|0.140027|0.109515|0.136301|0.215687|0.214474|0.136367|0.109353|0.150325|0.500000| |3.144680|3.939107|4.778839|6.306885|6.673579|4.604657|3.984916|4.324037|5.967262|8.874735|17.530640|16.606109|7.156868|4.809597|3.852028|3.858334|6.403351|6.833544|3.389852|3.143588|2.603259|2.356047|2.454063|2.887680|2.830020|3.048255|4.974568|3.693349|2.248622|0.060119|2.066483|2.095273|13.062706|1.839083|2.084404|3.270348|3.985654|0.088965|0.079454|0.078090|0.119309|0.098936|0.110199|0.140737|0.225360|0.139027|0.108023|0.155470|0.301822|0.500000| |2.072860|2.260625|2.589669|2.770300|3.130381|2.727981|2.794136|3.383559|4.294244|4.046225|4.844567|13.397447|8.940680|17.732225|8.865649|5.650729|6.761545|5.679053|3.242313|3.110688|2.820025|2.672885|2.756148|3.021651|2.888827|2.332930|3.931584|2.891870|1.861553|0.051511|1.664928|1.645894|10.263754|1.429606|1.805618|2.905101|3.461824|0.061206|0.054630|0.052799|0.065203|0.057452|0.066836|0.080006|0.081095|0.067620|0.065962|0.150624|0.120466|0.120288|0.500000| |1.822752|1.943175|2.115046|2.204119|2.338225|2.068328|2.069334|2.357611|2.792791|2.783937|3.329764|7.594417|5.659368|8.918729|17.727646|8.882792|7.777711|5.040830|2.276237|2.229520|2.094769|2.013754|2.048335|2.172379|2.119383|1.797043|3.063010|2.278034|1.502476|0.041486|1.374745|1.363172|8.712080|1.219339|1.470155|2.406465|2.792437|0.054054|0.047640|0.047548|0.057012|0.049664|0.054436|0.064565|0.065502|0.055069|0.051867|0.088711|0.089070|0.089036|0.211874|0.500000| |1.937335|2.061364|2.160808|2.227137|2.243602|1.952645|1.887765|2.070592|2.434018|2.573196|3.184098|6.598175|5.027195|5.666719|8.867433|17.707493|12.727830|5.894689|1.938049|1.885821|1.751458|1.675389|1.711566|1.835721|1.822702|1.645003|2.793182|2.107214|1.390839|0.037998|1.294809|1.289159|8.366229|1.174170|1.358283|2.227768|2.575605|0.057678|0.049609|0.051369|0.062230|0.052464|0.054512|0.065695|0.068035|0.055850|0.049833|0.073351|0.089155|0.089223|0.123688|0.213075|0.500000| |3.055070|3.553770|3.852867|4.165253|3.958431|3.082232|2.773457|2.982588|3.772929|4.661705|7.362960|12.407716|8.860785|5.655330|5.043462|5.914798|12.732818|17.754869|2.544484|2.384047|2.085497|1.950426|2.034852|2.308472|2.325257|2.275202|3.750670|2.879132|1.822128|0.048773|1.693702|1.692482|10.831537|1.514437|1.744700|2.789852|3.349694|0.090741|0.074915|0.078126|0.113923|0.086565|0.089383|0.120477|0.141751|0.097044|0.076865|0.106670|0.225612|0.226988|0.124153|0.109097|0.130004|0.500000| |1.911085|2.159928|2.563456|3.009596|3.880675|4.217782|5.484354|7.169720|5.877552|4.375907|3.536293|6.379667|2.959125|2.825918|2.374284|2.146093|2.989900|2.526569|8.951586|17.719992|8.932146|5.664560|4.985141|5.636328|4.071480|4.928903|9.765216|5.055071|3.157457|0.094144|2.701563|2.841383|16.226550|2.333850|2.717132|4.270778|4.859789|0.052801|0.052829|0.048465|0.058724|0.058751|0.071182|0.071150|0.080084|0.080277|0.099389|0.161532|0.083480|0.094088|0.086126|0.062331|0.053501|0.069063|0.500000| |1.564410|1.712135|1.967805|2.190454|2.636480|2.826537|3.460585|4.119279|3.606124|2.900415|2.536878|4.753884|2.348991|2.367441|2.063556|1.848875|2.502777|2.036234|5.622107|8.919332|17.705630|8.893180|5.648053|4.911957|3.533088|3.464218|6.908245|3.943038|2.690811|0.083175|2.322040|2.398780|14.099582|2.018471|2.420208|3.965387|4.248927|0.043543|0.043526|0.040178|0.046613|0.046585|0.055146|0.055200|0.058789|0.058838|0.070502|0.105551|0.062721|0.067474|0.073308|0.056039|0.047034|0.054738|0.215268|0.500000| |1.501679|1.603954|1.839349|1.966804|2.332176|2.509468|3.050356|3.554845|3.108716|2.537751|2.242392|4.230001|2.118825|2.168439|1.912060|1.707938|2.291174|1.843921|4.938215|5.657565|8.902041|17.698381|8.926932|5.614045|4.101886|3.135414|5.902733|3.829896|2.722329|0.084881|2.286874|2.247129|13.245568|1.823996|2.600288|4.337477|4.599326|0.042173|0.042231|0.038503|0.043259|0.043317|0.052361|0.052269|0.052186|0.052425|0.063463|0.091123|0.057247|0.058200|0.067583|0.052586|0.043766|0.049380|0.124241|0.213750|0.500000| |1.705367|1.797684|2.099428|2.180901|2.615940|2.846996|3.509461|4.089237|3.494585|2.831703|2.451128|4.579174|2.255474|2.275755|1.984285|1.776935|2.403981|1.954822|5.654357|4.983538|5.660612|8.948085|17.701799|8.938645|7.104596|3.578067|6.205853|4.606317|3.249006|0.098896|2.588651|2.406825|13.946472|1.845809|3.313914|5.390106|6.140108|0.048284|0.048517|0.043186|0.047791|0.048011|0.060909|0.060477|0.056719|0.057300|0.071541|0.100333|0.063893|0.061659|0.070731|0.054015|0.045267|0.052611|0.108049|0.124239|0.216193|0.500000| |2.298277|2.430760|2.989924|3.021218|3.768964|4.436880|5.706369|5.857303|4.557258|3.809301|3.042346|5.266850|2.488423|2.357493|2.026575|1.867013|2.619385|2.190386|6.316080|4.451446|3.941774|4.369961|6.103899|8.774045|17.555043|5.813855|8.333388|8.499799|5.302460|0.143711|3.745827|3.212907|17.680699|2.222685|5.769087|7.957212|12.781893|0.064544|0.067113|0.056534|0.062302|0.064580|0.091645|0.085509|0.074287|0.078658|0.110688|0.115198|0.081358|0.074311|0.070473|0.053394|0.047075|0.060876|0.104410|0.089873|0.102013|0.163205|0.500000| |2.492983|2.657949|3.358971|3.386667|4.363597|4.659543|5.688399|6.921429|6.120195|4.848186|3.856346|6.893766|3.145073|2.966078|2.469539|2.234195|3.131121|2.671177|6.854403|4.619940|3.938407|4.221063|5.730297|8.814728|17.571839|4.754114|6.980589|6.285903|3.771450|0.101626|2.946865|2.664123|15.261544|1.978433|3.886846|5.707710|8.340746|0.071706|0.071191|0.060640|0.069086|0.068620|0.099433|0.100912|0.084460|0.084111|0.109042|0.159971|0.102749|0.089637|0.090097|0.064359|0.055417|0.073226|0.109388|0.089759|0.097672|0.147523|0.302242|0.500000| |2.072847|2.159909|2.594510|2.598954|3.152725|3.416069|4.131807|4.730236|4.118033|3.393591|2.879372|5.273926|2.543391|2.497619|2.148188|1.939489|2.664349|2.201371|5.575105|4.190763|3.984593|4.786820|7.313895|8.879629|17.566849|3.964712|6.222045|5.431266|3.622873|0.101978|2.811990|2.506771|14.477672|1.865842|3.953131|6.065683|8.214905|0.059393|0.059603|0.051499|0.056505|0.056681|0.076816|0.076409|0.066128|0.066738|0.084780|0.113905|0.077144|0.069899|0.076506|0.057422|0.048965|0.059787|0.096339|0.090669|0.114079|0.226016|0.302945|0.301905|0.500000| |2.728118|2.963612|3.714503|3.789878|4.649258|6.511342|7.605728|5.464373|4.239968|3.999616|3.080223|4.921152|2.328272|2.121860|1.847661|1.756340|2.531125|2.129599|4.695037|3.682933|3.125322|3.124811|3.675272|4.692908|5.492083|9.461973|10.870453|25.880633|9.392026|0.190518|6.154965|4.858170|24.691403|2.930559|8.082181|9.478916|17.054303|0.073287|0.081964|0.066413|0.073089|0.081606|0.122417|0.098256|0.087674|0.104195|0.186681|0.098644|0.083434|0.077671|0.061167|0.048003|0.044442|0.061291|0.095587|0.075454|0.075401|0.094976|0.203927|0.148423|0.122563|0.500000| |2.322815|2.469012|2.787356|2.830425|3.052157|3.842904|3.910384|3.109078|2.647907|2.622042|2.196734|3.533817|1.751094|1.614506|1.451823|1.406854|2.025623|1.658578|2.871253|2.566769|2.315821|2.291499|2.500133|2.824710|3.002661|5.030296|7.968129|9.537707|8.871953|0.174254|17.519313|8.856229|46.074924|4.251016|6.849682|10.487794|9.874578|0.060418|0.070754|0.059019|0.061188|0.071899|0.089506|0.071031|0.068073|0.084011|0.125070|0.064909|0.060133|0.058322|0.045851|0.038082|0.036255|0.048089|0.069641|0.059083|0.058127|0.066490|0.098899|0.080193|0.074800|0.172977|0.500000| |1.930536|2.032512|2.270939|2.325158|2.542246|3.104321|3.344606|2.810821|2.376425|2.282512|1.939452|3.199867|1.599057|1.499334|1.354726|1.303606|1.855148|1.505061|2.754532|2.525153|2.356534|2.370750|2.557958|2.776842|2.878976|4.399585|7.616684|7.653331|8.981369|0.214189|17.606747|8.832175|46.028796|4.236968|7.150827|13.458320|8.968682|0.051067|0.057887|0.049604|0.051467|0.058407|0.070710|0.059331|0.057433|0.067722|0.094763|0.059639|0.052609|0.051569|0.042953|0.035863|0.033742|0.043115|0.067591|0.060536|0.061066|0.068896|0.094372|0.074221|0.073366|0.135301|0.302665|0.500000| |1.851479|2.017430|2.267546|2.456409|2.748114|3.420074|3.805510|3.159988|2.612108|2.474492|2.074994|3.415881|1.694310|1.584613|1.423991|1.366412|1.946254|1.586708|3.111832|3.003838|2.760609|2.636074|2.709246|2.933246|2.810644|5.334274|11.090220|7.547127|6.817525|0.206774|8.827290|17.593552|56.422020|6.535757|4.529465|7.579970|6.559776|0.048886|0.054110|0.047726|0.052000|0.058368|0.068496|0.058809|0.061350|0.072688|0.103183|0.065153|0.054841|0.056157|0.045497|0.037622|0.035252|0.045444|0.083185|0.072185|0.067181|0.070002|0.088178|0.072685|0.069925|0.120937|0.173459|0.211033|0.500000| |2.187717|2.440390|2.778211|3.072984|3.422470|4.484544|4.695199|3.594138|2.980697|2.920469|2.396544|3.826613|1.876445|1.720723|1.536695|1.485526|2.144126|1.768100|3.275864|3.067932|2.690979|2.524571|2.636906|2.984554|2.921068|6.558947|12.193977|9.296512|6.751990|0.169741|8.803586|17.621169|56.566123|6.585660|4.446319|6.903153|6.884416|0.056865|0.064143|0.055908|0.062046|0.071780|0.085051|0.070070|0.074788|0.093967|0.146198|0.072090|0.063457|0.065136|0.048932|0.040175|0.038119|0.051336|0.086897|0.069642|0.063244|0.067400|0.091697|0.078154|0.071080|0.145256|0.211617|0.173136|0.302963|0.500000| |1.647733|1.801367|1.947172|2.128695|2.270435|2.656809|2.763289|2.397738|2.104550|2.055827|1.792096|2.949541|1.494444|1.399128|1.276905|1.240420|1.770549|1.426039|2.328384|2.343873|2.188286|2.048973|2.038953|2.160216|2.057875|3.340961|6.749923|4.468479|3.530143|0.100937|4.320092|6.424598|55.957496|17.583224|2.805933|4.857508|4.389595|0.043162|0.047531|0.043373|0.047201|0.053041|0.057272|0.050128|0.054691|0.064321|0.080331|0.053442|0.047459|0.049832|0.039710|0.033797|0.032272|0.041041|0.067448|0.059536|0.053416|0.052999|0.061853|0.054768|0.052303|0.078631|0.107108|0.114158|0.196885|0.166004|0.500000| |1.875840|2.088387|2.248290|2.499110|2.614234|3.080353|3.059058|2.575331|2.286795|2.294817|1.990231|3.206074|1.616845|1.491653|1.357526|1.328746|1.917636|1.555216|2.397041|2.374702|2.153200|1.995840|2.009032|2.182849|2.103289|3.594068|6.980464|4.774045|3.528301|0.095689|4.327074|6.427709|55.938524|17.581418|2.791850|4.672806|4.493591|0.048468|0.054043|0.049349|0.054444|0.062655|0.066127|0.056700|0.063697|0.077876|0.096591|0.057143|0.052809|0.055863|0.041973|0.035641|0.034459|0.045283|0.069385|0.058066|0.051379|0.051884|0.063142|0.057093|0.052857|0.084515|0.114880|0.106988|0.164726|0.198653|0.299976|0.500000| 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