Version2.2 2021-02-10T11:08:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-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](CC1=c2ccccc2=[NH+]C1)NC(=O)CCN3[C@@H](Nc4ccccc4C3=O)O C64380807 RHF 6-31G(d) (6D,7F) C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CCN3[C@@H](Nc4ccccc4C3=O)O C01[X(C22H25N4O3)] 156 C1 485 O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C)CCN1[C@H](O)Nc2c(C1=O)cccc2 O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C)CCN1[C@H](O)Nc2c(C1=O)cccc2 C[C@H](CC1=C2C=CC=CC2=[NH+]C1)NC(=O)CCN3[C@H](O)Nc4ccccc4C3=O InChIKey=IMOCYLXHOBRLCU-JLCFBVMHSA-O InChI=1S/C22H24N4O3/c1-14(12-15-13-23-18-8-4-2-6-16(15)18)24-20(27)10-11-26-21(28)17-7-3-5-9-19(17)25-22(26)29/h2-9,14,22,25,29H,10-13H2,1H3,(H,24,27)/p+1/t14-,22-/m1/s1 InChI=1/C22H24N4O3/c1-14(12-15-13-23-18-8-4-2-6-16(15)18)24-20(27)10-11-26-21(28)17-7-3-5-9-19(17)25-22(26)29/h2-9,14,22,25,29H,10-13H2,1H3,(H,24,27)/p+1/t14-,22-/m1/s1/fC22H25N4O3/h23-24H/q+1 C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CCN3[C@@H](Nc4ccccc4C3=O)O C01[X(C22H25N4O3)] 156 C01 485 O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C)CCN1[C@H](O)Nc2c(C1=O)cccc2 C[C@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)NC(=O)CCN1[C@H](O)N[C]2[C]([CH][CH][CH][CH]2)C1=O C[C@H](CC1=C2C=CC=C[C]2NC1)NC(=O)CCN3[C@H](O)N[C]4[CH][CH][CH][CH][C]4C3=O InChIKey=HLMSQVRSPLSSNY-JLCFBVMHSA-N InChI=1S/C22H25N4O3/c1-14(12-15-13-23-18-8-4-2-6-16(15)18)24-20(27)10-11-26-21(28)17-7-3-5-9-19(17)25-22(26)29/h2-9,14,22-23,25,29H,10-13H2,1H3,(H,24,27)/t14-,22-/m1/s1 InChI=1/C22H25N4O3/c1-14(12-15-13-23-18-8-4-2-6-16(15)18)24-20(27)10-11-26-21(28)17-7-3-5-9-19(17)25-22(26)29/h2-9,14,22-23,25,29H,10-13H2,1H3,(H,24,27)/t14-,22-/m1/s1/f/h24H 2764.8068828037 -1289.9070346 1-A 13858.1832 104 381 485 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65220 -20.61965 -20.61773 -15.75291 -15.67579 -15.66934 -15.66112 -11.46220 -11.44589 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8.03029
9.4105 2.1346 -0.1241 9.6504 |XX|YY|ZZ|XY|XZ|YZ| -43.3751 -137.5218 -147.1256 2.0137 8.2962 -0.1421
|XX|YY|ZZ|XY|XZ|YZ| 65.9657 -28.1809 -37.7848 2.0137 8.2962 -0.1421
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1.8409 2.6912 2.0103 1.4934 1.6278 1.3522 2.1191 2.1345 1.2975 1.5530 1.7020 1.6070 2.3091 1.4914 1.7412 2.2827 2.0747 1.5546 2.0715 2.0223 2.2032 2.2851 2.2549 2.6770 3.0643 1.8894 1.7285 1.9178 2.6924 1.8322 2.5632 2.5425 2.6299 2.1802 1.7061 2.2587 1.7176 1.6861 2.1331 2.7462 3.9510 3.3962 9.1554 3.2032 7.8888 11.6200 11.1906 12.1308 23.7198 15.4595 6.3422 6.4962 6.5838 6.8412 6.7645 6.6937 6.8139 6.9901 7.0287 7.0790 7.1149 7.1517 7.2192 7.2895 7.3758 7.3724 7.4475 7.4314 7.5147 7.5270 7.5734 9.0266 9.2630 9.5954 10.4965 1.1489 0.6725 1.8480 3.7842 2.2075 1.7997 2.0080 3.3936 0.6782 10.8957 3.1380 3.4151 4.9552 2.2643 16.2112 7.0354 15.8867 2.1247 0.4779 7.5019 4.3224 5.3769 12.5555 85.6186 1.2863 17.1818 17.4553 122.2096 61.7732 1.4114 31.5173 16.9048 22.0358 61.1004 18.4521 5.8653 14.4771 37.9572 7.5020 11.5783 17.2223 4.5033 19.5540 16.8770 11.3949 40.5102 5.5088 28.6260 4.7259 22.3721 46.0742 7.2238 58.0373 94.1670 50.9071 5.4022 2.2309 13.6418 9.3756 3.9022 2.8296 1.4847 3.7772 8.4948 5.4092 8.5631 14.9951 4.6656 5.4397 10.6329 1.8283 0.0269 19.0248 2.7356 2.2607 22.5515 54.7172 2.4147 8.9425 22.1372 7.4476 30.9186 70.5534 16.1214 79.5706 67.4968 6.4504 24.0769 33.7190 10.7434 6.6544 26.9303 43.1798 26.9679 13.6799 84.6081 59.0267 12.7465 3.0223 53.2029 55.0037 136.6903 49.6545 32.3397 63.4185 50.0072 58.1147 23.6109 39.1570 79.4829 3.6903 22.3560 18.0786 22.3384 69.2061 16.3479 111.6934 21.2635 14.6939 13.3368 165.6096 194.2503 128.3345 14.5407 293.6659 95.8200 2.0156 188.1451 427.7903 647.7535 291.6675 9.2086 17.9795 6.2497 0.8796 5.5016 2.5352 73.2413 5.0301 42.8981 22.1917 6.7781 5.0416 19.4846 1.6273 9.8698 2.7366 16.1293 0.2042 1.2604 5.3996 1.9806 409.6604 41.6176 191.8730 89.1440 2.2514 7.3733 0.7509 3.4133 2.9041 2.1384 2.6382 2.7713 0.7618 6.5022 1.8065 1.5096 0.7755 0.3341 0.1957 1.2630 2.4401 0.2468 1.1580 2.1959 0.1306 1.1356 0.4546 2.8473 0.9898 1.0300 4.0791 4.2613 0.9773 0.1525 1.5918 2.0391 1.8906 1.6929 0.9853 1.8299 1.5706 8.8267 3.3675 6.4421 4.1523 2.6770 3.3170 1.4364 1.7859 1.6562 6.8337 9.7198 1.5895 8.8695 1.3484 2.9298 4.4021 5.7369 1.5058 0.9164 15.8354 8.3553 1.2590 2.9997 2.4285 4.9051 4.4764 8.0614 9.3735 2.4809 9.9090 1.3190 1.9021 8.8300 2.9250 3.0049 13.0246 0.4629 2.6573 6.5799 4.7560 3.2429 6.4426 5.0567 3.2061 10.1349 5.2348 27.2253 16.1443 4.1127 14.2056 7.9627 16.1047 8.7802 10.6847 2.2072 4.6470 40.7205 16.3658 13.4885 66.4254 14.3633 22.2737 4.5514 0.7983 4.5062 2.9676 20.1794 8.7900 62.7157 71.4348 5.1574 2.4350 7.6565 7.9862 68.7198 28.2331 3.6212 46.2719 13.5294 6.9041 25.6551 15.6565 5.1855 63.5150 1.3605 8.0285 48.4586 7.4220 7.6478 10.9373 69.7799 62.4449 46.6236 1.3903 50.4853 128.3766 249.2271 57.9135 5.6135 41.5615 129.6087 11.6727 83.2859 84.8908 80.9246 34.6423 46.5950 55.6766 97.2410 66.0457 183.2650 75.9253 121.8434 100.3434 156.0690 111.4799 96.0426 105.5781 80.1904 0.7321 0.7473 0.6668 0.7484 0.7489 0.6973 0.7456 0.7187 0.5791 0.7079 0.6882 0.7486 0.7161 0.7092 0.7486 0.3618 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0.7860 0.2856 0.8570 0.3629 0.2474 0.2122 0.3969 0.4032 0.4771 0.4577
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 6 6 6 6 6 6 6 7 1 6 7 6 8 6 6 7 6 1 7 6 6 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
5895.6838 21765.2549 22598.6208 0.99999 -0.00524 0.00028 0.00525 0.99912 -0.04157 -0.00007 0.04157 0.99914 1 0.01469 0.00398 0.00383 0.30611 0.08292 0.07986 13.10 33.12 51.20 63.57 86.41 87.74 116.58 124.00 136.57 165.40 198.50 212.89 237.82 268.28 306.79 318.68 366.72 370.95 381.59 418.75 435.58 440.61 468.76 525.81 565.18 607.70 624.01 668.78 681.51 687.20 699.83 711.23 714.43 751.59 761.76 763.10 792.32 823.83 846.51 853.36 872.69 924.71 931.48 966.12 1014.73 1082.30 1094.32 1102.01 1128.46 1143.86 1151.61 1200.32 1223.08 1227.77 1244.60 1294.66 1320.40 1356.86 1366.08 1378.23 1382.97 1393.04 1429.06 1467.64 1504.36 1508.17 1523.34 1534.23 1568.85 1587.58 1589.25 1606.14 1622.06 1630.97 1636.78 1639.33 1657.06 1661.86 1697.60 1735.22 1747.66 1768.73 1798.21 1801.26 1819.08 1832.76 1864.37 1872.78 1884.64 1911.38 1924.81 1926.76 1938.50 1987.26 1996.23 2003.66 2035.28 2036.11 2058.57 2067.58 2100.50 2123.61 2156.98 2165.10 2194.34 2205.77 2206.81 2215.31 2245.12 2252.15 2263.24 2270.60 2299.67 2306.95 2332.07 2337.11 2348.91 2356.23 2361.26 2376.45 2379.45 2400.69 2413.37 2503.01 2509.91 2542.01 2567.43 2608.68 2659.60 2713.30 2767.96 4626.53 4637.36 4661.25 4696.14 4699.65 4701.61 4716.88 4720.90 4739.49 4747.40 4767.99 4769.08 4790.14 4850.35 4869.44 4873.81 4885.54 4894.20 4904.71 4913.63 4918.97 5414.48 5496.33 5582.87 5881.22 0.484523 0.508619 0.509563 0.428034 -1289.422511 -1289.398415 -1289.397471 -1289.479001 2.734530D-04
MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CCN3[C@@H](Nc4ccccc4C3=O)O C64380807 RHF 6-31G(d) (6D,10F) C1 393.192666 |X|Y|Z| 44.857674 39.176252 101.543704
56.299458 25 6 7 21 4
|36.858105| |12.476395|36.858105| |8.897517|17.605873|0.500000| |7.569502|12.268782|0.245665|36.858105| |4.922962|7.470456|0.190528|12.754033|36.858105| |3.902555|5.333533|0.134425|7.410125|14.030340|36.858105| |3.596805|4.538168|0.109556|5.828998|7.433554|13.223189|36.858105| |2.886777|3.487003|0.087681|4.151178|5.135803|7.957782|14.189212|36.858105| |2.550329|3.089384|0.081087|3.594918|4.649674|6.888947|7.871687|13.186947|36.858105| |2.618577|3.250484|0.088079|3.804716|5.291033|7.664622|6.617766|7.714315|14.059702|36.858105| |3.157488|4.134108|0.112766|5.110363|8.425333|13.231186|7.654049|6.816322|8.073033|13.443391|36.858105| |3.199645|4.220446|0.122767|5.088197|8.274480|8.449338|5.296617|4.656194|5.258606|7.720396|14.501365|53.358707| |2.809274|3.571116|0.106025|4.081445|5.831330|5.926320|4.238842|3.952249|4.643752|6.817384|9.281212|26.032382|0.500000| |4.050506|5.692588|0.173018|7.254371|12.716996|8.210463|5.082435|4.102616|4.152581|5.196783|8.369702|17.910735|0.244219|36.858105| |7.832825|13.166302|0.257383|7.654665|6.324553|5.339878|4.890737|3.811770|3.316943|3.394198|4.160417|5.461497|0.095279|4.857754|53.358707| |5.213202|7.772815|0.206451|5.756720|5.868926|5.329610|4.719092|3.885597|3.548969|3.723816|4.517953|5.968961|0.105775|5.001104|19.201773|36.858105| |4.556434|6.847221|0.212496|5.600062|6.445666|5.640154|4.525590|3.799306|3.677442|4.110135|5.209294|7.409215|0.131661|6.265173|11.566846|15.749889|73.516695| |4.014830|5.023942|0.132122|4.092895|4.181645|4.181589|4.091028|3.634708|3.329595|3.342855|3.723154|4.753136|0.087556|3.681031|10.695544|12.559280|14.142479|36.858105| |3.904069|4.386294|0.117036|3.446228|3.315779|3.209259|3.171862|2.858412|2.630186|2.630871|2.889509|3.796391|0.071439|2.994171|8.496162|7.431137|9.710910|12.286805|36.858105| |3.415567|3.615428|0.093562|2.995150|2.852545|2.835945|2.935402|2.705264|2.449359|2.379064|2.542559|3.276703|0.061876|2.542099|6.600036|5.129216|7.107093|7.534672|13.097237|53.358707| |2.721678|2.889769|0.076371|2.504273|2.456864|2.498271|2.605192|2.492712|2.305445|2.224060|2.308914|2.966492|0.056896|2.239714|4.984068|4.001768|5.957937|5.699507|7.660011|17.994804|36.858105| |2.576739|2.744048|0.074313|2.364813|2.337976|2.352600|2.397966|2.299029|2.171051|2.130203|2.214502|2.891551|0.056058|2.180602|4.628726|3.810987|5.863191|5.277662|7.292052|12.652949|17.613643|0.500000| |2.433562|2.498494|0.065711|2.206048|2.138911|2.174960|2.294958|2.214562|2.040916|1.951952|2.009768|2.583823|0.049742|1.951005|4.133970|3.163963|4.825223|4.085284|5.122831|10.809556|13.348944|0.260104|53.358707| |2.516093|2.524700|0.065051|2.251408|2.144928|2.183951|2.349432|2.253414|2.033650|1.920924|1.982523|2.528894|0.048309|1.922386|4.142750|3.030804|4.577323|3.749463|4.496713|9.320026|7.860840|0.161339|18.468347|36.858105| |2.184273|2.166413|0.056086|1.973885|1.884655|1.925321|2.078807|2.019168|1.832302|1.723940|1.762093|2.250666|0.043235|1.701386|3.437068|2.494846|3.865925|2.957271|3.386818|6.217255|5.161055|0.118853|10.694390|13.707364|36.858105| |2.162155|2.109342|0.054085|1.948551|1.841104|1.880648|2.051504|1.987506|1.784095|1.667996|1.706546|2.173333|0.041609|1.648950|3.287334|2.327836|3.619395|2.667041|2.965291|5.187747|3.966194|0.093525|7.044241|7.959930|13.804328|36.858105| |2.442682|2.348544|0.059151|2.173593|2.019147|2.056683|2.269527|2.165963|1.906910|1.774143|1.831975|2.321360|0.044048|1.777735|3.662447|2.518551|3.864809|2.833680|3.108073|5.383578|3.808209|0.088872|6.194962|6.848401|7.896196|13.679380|36.858105| |2.930966|2.821175|0.069849|2.557389|2.345360|2.376920|2.630292|2.458307|2.133483|1.987912|2.080105|2.626335|0.049381|2.031350|4.544625|3.066495|4.566698|3.497933|3.889817|7.027057|4.576512|0.102903|7.024585|7.904859|6.857488|7.967650|13.836380|36.858105| |2.998573|2.973248|0.074590|2.622082|2.442477|2.472956|2.691590|2.520266|2.218505|2.086461|2.186045|2.770559|0.052242|2.136054|4.991015|3.497881|5.112251|4.268994|5.073461|10.735572|6.855424|0.141170|10.735797|13.716015|7.921756|6.897081|7.929661|13.666542|36.858105| |3.706795|3.762774|0.093206|3.158336|2.909869|2.897638|3.094300|2.809704|2.463838|2.350624|2.520766|3.207243|0.059878|2.513297|6.808664|4.735302|6.508304|6.081838|7.898581|19.057056|7.849845|0.161490|9.167582|7.666582|5.068408|4.494493|5.077986|7.661027|12.879364|36.858105| |4.730041|4.682213|0.110243|3.809843|3.350799|3.262308|3.481269|3.034100|2.602660|2.492116|2.739223|3.483915|0.064053|2.800837|8.760544|5.385818|7.139998|6.131406|7.098453|11.554185|5.400315|0.123386|6.418282|5.302379|4.005155|3.820835|4.539445|6.744440|8.073705|15.711650|73.516695| |2.586750|2.830931|0.074471|2.535945|2.563373|2.693398|2.866337|2.817773|2.612542|2.475822|2.512566|3.158171|0.060527|2.325919|4.906736|4.064151|6.133711|5.970783|6.341643|11.386956|13.675343|0.259755|11.171137|6.194082|4.533700|3.646176|3.539519|4.172126|5.719095|6.312020|8.532032|73.516695| |17.574427|8.800422|0.212445|6.954118|4.604269|3.601507|3.265573|2.657113|2.384562|2.473876|2.983254|4.207653|0.076090|3.966238|7.677888|4.214927|6.988663|3.325914|3.229320|3.901735|2.361160|0.062779|2.914679|2.208310|1.953230|1.945321|2.179978|2.549379|2.575535|3.067127|6.654159|4.015269|0.500000| |17.551855|8.779756|0.173453|6.835587|4.548103|3.813850|3.721766|2.978042|2.562206|2.563250|3.028235|4.040185|0.072326|3.613269|9.581225|4.706259|7.111048|3.855307|3.761022|4.713887|2.754765|0.071025|3.408739|2.658175|2.317190|2.333201|2.699033|3.279874|3.248439|3.957813|9.352455|4.672681|0.301116|0.500000| |17.586416|8.839341|0.214484|5.497538|4.064189|3.354996|3.125974|2.592079|2.326605|2.388805|2.820403|3.914856|0.071621|3.535012|9.682040|5.082864|7.794481|4.089530|4.267820|5.023321|2.890493|0.076804|3.515444|2.649145|2.280973|2.235827|2.505755|3.015898|3.144342|3.944848|8.847329|4.741850|0.301419|0.301447|0.500000| |6.985521|8.809656|0.174023|17.593515|8.987219|6.994758|6.513738|4.472420|3.650926|3.665957|4.660707|5.892017|0.098414|5.450973|9.403916|5.088000|8.277767|3.910245|3.330849|4.099742|2.518828|0.064989|3.060769|2.341277|2.062251|2.063365|2.339597|2.767586|2.771202|3.291963|7.198356|4.560195|0.173883|0.207199|0.141717|0.500000| |7.027067|8.829811|0.214338|17.536380|9.041880|5.767985|4.637511|3.525049|3.156711|3.383838|4.436159|6.355334|0.107432|6.789435|7.621553|4.502473|8.106712|3.377146|2.964275|3.552196|2.218459|0.058803|2.700611|2.025044|1.799887|1.786349|1.983124|2.293528|2.327630|2.738896|5.762082|3.958265|0.213094|0.171066|0.143115|0.302485|0.500000| |3.975876|4.827940|0.110959|6.173030|6.574345|8.719021|17.751684|9.026343|5.591226|4.820673|5.503218|5.841502|0.098218|4.431350|7.118762|4.649106|7.481744|4.077117|3.261064|4.202268|2.688530|0.067774|3.260692|2.506642|2.215535|2.215564|2.502796|2.940690|2.944170|3.382483|6.985704|5.180477|0.098620|0.119633|0.094378|0.217971|0.134165|0.500000| |2.659836|3.093101|0.077434|3.568479|4.103920|5.628060|9.040300|17.756028|8.773384|5.588261|4.927861|5.020965|0.089968|3.355750|4.641325|3.423152|5.800408|3.344515|2.709807|3.603824|2.474413|0.062729|3.043344|2.305946|2.088971|2.075313|2.267986|2.548830|2.574303|2.793885|5.299084|5.016095|0.068003|0.077620|0.067040|0.109349|0.085732|0.215550|0.500000| |2.242086|2.644258|0.069926|2.993748|3.683665|4.961495|5.658337|8.803918|17.721256|9.095023|5.701353|5.715768|0.108531|3.398515|3.870562|3.044780|5.564812|2.959433|2.397317|3.091781|2.184089|0.057274|2.661496|1.945105|1.771993|1.725656|1.827386|2.015932|2.091274|2.277061|4.202892|4.436425|0.058524|0.062825|0.057553|0.084846|0.074517|0.124080|0.215633|0.500000| |2.334358|2.841063|0.078655|3.229494|4.293314|5.500217|4.820928|5.523994|8.948887|17.753218|8.753104|9.240012|0.192730|4.542662|4.004801|3.258811|6.490383|2.983297|2.403466|2.963189|2.066339|0.055628|2.480720|1.778949|1.607405|1.550071|1.632580|1.810628|1.905367|2.126223|3.955152|4.077580|0.061870|0.063055|0.059966|0.085602|0.082028|0.105314|0.123187|0.216861|0.500000| |3.823236|4.967369|0.151040|6.466233|8.876008|6.234226|4.298709|3.561753|3.599127|4.380044|6.313824|12.353637|0.203374|17.548499|5.529141|4.005239|8.424104|3.083323|2.613568|3.079374|2.006976|0.054408|2.417476|1.760907|1.575372|1.537910|1.658660|1.876834|1.949613|2.257772|4.469054|3.670960|0.109248|0.094872|0.092303|0.138928|0.195142|0.107757|0.083132|0.084098|0.110211|0.500000| |4.233911|6.099318|0.208676|6.499843|8.930312|6.256434|4.316178|3.580746|3.623233|4.414923|6.362309|12.384425|0.207868|17.611337|7.117118|5.673544|14.009159|4.009684|3.278807|3.672607|2.360871|0.064646|2.767780|1.979452|1.738747|1.669973|1.789895|2.052676|2.189687|2.612410|5.146824|4.304643|0.113754|0.101204|0.105932|0.134805|0.167977|0.108043|0.083522|0.084622|0.111082|0.298076|0.500000| |7.522363|8.983670|0.184033|6.092887|4.984526|4.500843|4.476396|3.589493|3.064242|3.036934|3.562584|4.586882|0.081599|3.913125|25.865492|9.437443|10.880058|7.591390|6.830556|7.772272|4.066954|0.101599|4.628664|3.501954|2.850890|2.738341|3.115560|4.019087|4.430426|6.428042|16.945876|6.939273|0.147195|0.213818|0.201326|0.171188|0.131592|0.139565|0.092432|0.074360|0.073682|0.094348|0.114009|0.500000| |3.821804|4.658209|0.116616|4.042157|4.132541|4.363609|4.606722|4.135480|3.627674|3.477503|3.771886|4.601667|0.083937|3.488396|9.707737|8.979471|11.019049|17.602514|8.803558|10.203305|5.839372|0.138728|5.837853|4.091934|3.203905|2.912165|3.139391|3.948070|4.811237|6.800251|12.118130|11.946923|0.088210|0.106750|0.105073|0.112586|0.091715|0.130374|0.107947|0.089627|0.084667|0.081854|0.101004|0.208962|0.500000| |3.373321|4.185471|0.115254|3.590717|3.860598|3.959300|3.803776|3.530932|3.392452|3.466282|3.755319|4.829195|0.091115|3.581906|7.858282|9.042230|13.610723|17.638076|8.725841|8.210169|5.314595|0.145305|5.197046|3.387362|2.735410|2.446438|2.539866|3.029368|3.653910|4.770468|8.190009|10.552986|0.080508|0.089258|0.095060|0.094163|0.084389|0.101202|0.089778|0.084836|0.087731|0.083076|0.109258|0.149243|0.303354|0.500000| |3.352891|3.737787|0.104153|3.013304|2.965284|2.873653|2.796612|2.575779|2.437246|2.469708|2.679234|3.580786|0.068726|2.784240|6.647317|5.993246|8.841807|8.790155|17.622428|12.618962|7.425108|0.237369|6.746202|4.084466|3.163900|2.729363|2.776555|3.332356|4.266565|5.809605|9.118639|10.702873|0.079634|0.088370|0.102249|0.079852|0.073714|0.078314|0.067821|0.062445|0.063852|0.068014|0.085725|0.139816|0.179967|0.228829|0.500000| |4.671581|5.046167|0.134825|3.710630|3.408609|3.170426|3.078465|2.711126|2.480912|2.506017|2.810822|3.762345|0.070470|3.069315|9.625405|7.398604|9.654721|8.734892|17.647711|12.627602|5.750764|0.154648|5.964027|4.068526|3.156180|2.840416|3.034916|3.809981|4.738672|7.298234|13.422332|8.462149|0.104440|0.121885|0.150411|0.098503|0.089298|0.089224|0.071051|0.062435|0.063529|0.075245|0.094342|0.221029|0.187106|0.178607|0.304858|0.500000| |2.292030|2.326377|0.061941|2.047354|1.979518|1.992467|2.074773|1.999554|1.862327|1.798824|1.856337|2.414268|0.046775|1.828759|3.765824|2.876320|4.466541|3.594631|4.576139|8.740726|9.301712|0.241839|25.980761|9.398065|6.982334|4.722432|4.061442|4.410039|6.122430|5.435081|7.233110|10.842502|0.056562|0.064953|0.068290|0.057540|0.051716|0.059894|0.055803|0.049666|0.047006|0.046562|0.053213|0.084977|0.101191|0.094740|0.129068|0.112878|0.500000| |1.972274|1.968068|0.051555|1.801931|1.737709|1.777265|1.903767|1.866864|1.718104|1.623404|1.648295|2.114946|0.040918|1.588393|3.089895|2.277126|3.586005|2.690650|3.062192|5.410512|4.720501|0.114488|9.800760|8.919859|17.725368|8.900422|5.620094|4.944712|5.642644|4.125574|5.948494|7.486551|0.049457|0.057453|0.057236|0.051872|0.045930|0.055691|0.053556|0.046486|0.042392|0.040956|0.045181|0.069885|0.079721|0.070718|0.081906|0.078896|0.196540|0.500000| |1.941594|1.891168|0.048812|1.765812|1.675909|1.713468|1.863919|1.819988|1.646520|1.540476|1.567415|2.001643|0.038500|1.512629|2.897913|2.058727|3.248596|2.322951|2.546468|4.288810|3.308308|0.080594|5.704072|5.660973|8.967262|17.720868|8.901927|5.662839|4.964770|3.585430|5.605980|5.513837|0.049118|0.057957|0.055566|0.051845|0.045364|0.055602|0.052939|0.044536|0.039991|0.039426|0.042441|0.066058|0.069797|0.060001|0.066132|0.068138|0.110480|0.215296|0.500000| |2.336913|2.222212|0.055882|2.089687|1.932272|1.967023|2.177960|2.080502|1.827444|1.696615|1.750106|2.218348|0.042099|1.700222|3.387321|2.305330|3.578854|2.525737|2.711823|4.490031|3.149876|0.075480|4.929963|4.940789|5.631727|8.884852|17.737119|8.933983|5.638002|4.126865|6.966770|5.311875|0.058646|0.072354|0.065927|0.062977|0.053445|0.067079|0.060845|0.048755|0.043396|0.044413|0.047228|0.079209|0.077296|0.063262|0.067723|0.074560|0.092050|0.123805|0.214609|0.500000| |3.313002|3.122973|0.075607|2.844572|2.548260|2.564652|2.862072|2.618611|2.232855|2.077530|2.199287|2.768982|0.051611|2.166582|4.986408|3.227331|4.769864|3.538677|3.817243|6.462317|3.997182|0.092252|5.709676|5.648751|4.947287|5.647307|8.909369|17.755775|8.951315|7.140836|13.472125|6.632979|0.079306|0.106686|0.093223|0.087364|0.070555|0.091192|0.075263|0.058015|0.052111|0.055736|0.060381|0.125313|0.111376|0.083719|0.089278|0.107034|0.101894|0.107441|0.124101|0.213837|0.500000| |2.293033|2.482984|0.065798|2.262186|2.298564|2.426461|2.587170|2.592456|2.436101|2.300158|2.297660|2.894015|0.055986|2.110386|4.164370|3.403246|5.310325|4.652412|4.889638|8.356886|9.906970|0.222541|10.825060|5.865586|4.603859|3.631622|3.392149|3.807710|4.993498|5.022664|7.033534|35.661237|0.056416|0.064788|0.065513|0.063657|0.055857|0.072667|0.072915|0.065725|0.059880|0.052520|0.060712|0.090933|0.142097|0.132703|0.134910|0.108132|0.170076|0.124403|0.087370|0.079979|0.093411|0.500000|
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