Version2.0 2020-03-02T07:36:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1C[NH+]2C[C@H]3C[C@@H](C2)c4cccc(=O)n4C3)[C@@H]5c6c(c7ccccc7[nH]6)CCN5 C37229604 RHF 6-31G(d) (6D,7F) COc1ccc(cc1C[NH+]2C[C@H]3C[C@@H](C2)c4cccc(=O)n4C3)[C@@H]5c6c(c7ccccc7[nH]6)CCN5 C01[X(C30H33N4O2)] 201 C1 606 COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@H]1NCCc2c1[nH]c1c2cccc1 COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@H]1NCCc2c1[nH]c1c2cccc1 COc1ccc(cc1C[NH+]2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)[C@H]5NCCc6c5[nH]c7ccccc67 InChIKey=OHFLJCKMHMASJF-GZGBDJLISA-O InChI=1S/C30H32N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-32H,11-13,15-18H2,1H3/p+1/t19-,21+,29-/m1/s1 InChI=1/C30H32N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-32H,11-13,15-18H2,1H3/p+1/t19-,21+,29-/m1/s1/fC30H33N4O2/h33H/q+1 COc1ccc(cc1C[NH+]2C[C@H]3C[C@@H](C2)c4cccc(=O)n4C3)[C@@H]5c6c(c7ccccc7[nH]6)CCN5 C01[X(C30H33N4O2)] 201 C01 606 COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@H]1NCCc2c1[nH]c1c2cccc1 COc1ccc(cc1C[NH]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@H]1NCCc2c1[nH]c1c2cccc1 COc1ccc(cc1C[NH]2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)[C@H]5NCCc6c5[nH]c7ccccc67 InChIKey=FOMCEVZJNMHWLL-GZGBDJLISA-N InChI=1S/C30H33N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-33H,11-13,15-18H2,1H3/t19-,21+,29-/m1/s1 InChI=1/C30H33N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-33H,11-13,15-18H2,1H3/t19-,21+,29-/m1/s1 3875.0354003091 -1522.607236 1-A 20696.8011 128 478 606 |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| -20.72139 -20.62442 -15.82997 -15.73647 -15.66571 -15.62622 -11.45480 -11.43407 -11.43265 -11.43259 -11.42376 -11.41797 -11.39460 -11.39281 -11.38897 -11.38592 -11.36855 -11.36485 -11.36408 -11.35894 -11.35881 -11.34555 -11.34534 -11.34247 -11.34012 -11.33509 -11.32915 -11.32483 -11.31785 -11.28880 -11.28751 -11.28577 -11.28528 -11.28253 -11.28129 -11.27519 -1.54355 -1.50160 -1.48061 -1.39792 -1.36722 -1.30616 -1.27844 -1.25879 -1.24317 -1.20405 -1.19495 -1.18141 -1.15148 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0.07188 0.09957 0.10780 0.11277 0.11866 0.12908 0.13932 0.14000 0.14083 0.14852 0.15102 0.16054 0.16881 0.16960 0.17200 0.17838 0.18406 0.18917 0.19031 0.19398 0.20037 0.20645 0.20777 0.21449 0.21698 0.22181 0.22293 0.22524 0.22890 0.23130 0.23314 0.23480 0.23762 0.24589 0.25319 0.25466 0.26010 0.26617 0.26647 0.27182 0.27466 0.28062 0.28806 0.29162 0.29451 0.30409 0.31439 0.31874 0.32534 0.32991 0.33372 0.34089 0.34339 0.34713 0.35549 0.36040 0.37884 0.38478 0.38827 0.39974 0.40836 0.41126 0.41261 0.42247 0.42969 0.43382 0.43801 0.45567 0.46179 0.47523 0.49756 0.50917 0.52826 0.55049 0.55216 0.55517 0.55726 0.56692 0.57346 0.58271 0.59453 0.60335 0.60486 0.61636 0.61931 0.63450 0.63712 0.64707 0.65367 0.66298 0.66678 0.67802 0.68161 0.68561 0.68808 0.69138 0.69711 0.70166 0.70507 0.70614 0.71285 0.71759 0.72458 0.72510 0.73212 0.73444 0.74124 0.74769 0.75127 0.75412 0.76048 0.76258 0.76392 0.77016 0.77125 0.78009 0.78279 0.78521 0.78668 0.79387 0.79699 0.80067 0.80636 0.80988 0.81970 0.82478 0.82866 0.83242 0.83887 0.84823 0.85111 0.86141 0.86452 0.86771 0.86938 0.88138 0.89558 0.89840 0.90236 0.90841 0.91473 0.92307 0.92626 0.93611 0.94936 0.95021 0.96086 0.96741 0.96905 0.97633 0.98460 0.98672 0.98899 0.99337 0.99773 1.00463 1.01550 1.02148 1.02409 1.02694 1.02958 1.03486 1.03570 1.04047 1.04320 1.04683 1.04825 1.05326 1.05530 1.05851 1.06039 1.06423 1.06515 1.07410 1.07461 1.07854 1.08496 1.08810 1.09082 1.09683 1.10295 1.10748 1.11731 1.12063 1.12191 1.12539 1.13063 1.13195 1.13570 1.14255 1.14615 1.15231 1.15706 1.16677 1.16713 1.17790 1.18192 1.18406 1.18835 1.19744 1.20719 1.21387 1.21624 1.23153 1.23729 1.24680 1.25865 1.26147 1.28180 1.30129 1.30459 1.31098 1.31920 1.32942 1.34271 1.35133 1.35573 1.36195 1.36907 1.37647 1.38735 1.39018 1.39613 1.40552 1.40978 1.41951 1.42258 1.42947 1.44638 1.45218 1.47409 1.48212 1.48963 1.49824 1.50675 1.52241 1.52892 1.53408 1.53942 1.55208 1.56040 1.57279 1.57897 1.59418 1.61355 1.61823 1.62216 1.62783 1.63463 1.64186 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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 8 6 6 6 6 6 6 6 7 1 6 6 1 6 6 1 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 6 6 6 6 7 1 6 6 7 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 12.00000 14.00307 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 9179.6753 31282.5042 34262.8797 0.99998 0.00044 -0.00648 -0.00044 1.00000 -0.00141 0.00648 0.00141 0.99998 1 0.00944 0.00277 0.00253 0.19660 0.05769 0.05267 15.57 20.27 44.84 58.07 64.67 82.20 96.94 121.38 132.50 170.22 190.24 217.21 238.95 270.31 275.41 296.55 308.88 328.69 348.70 364.20 384.22 401.20 426.37 444.29 449.74 459.05 495.52 525.89 544.48 551.39 562.61 585.37 619.17 670.85 673.41 689.39 698.16 720.66 754.09 765.50 790.43 798.41 808.98 832.24 877.26 891.93 905.18 917.14 945.75 948.27 958.53 1004.60 1035.52 1036.95 1116.80 1127.84 1153.47 1172.43 1175.46 1179.49 1201.77 1210.86 1215.88 1246.61 1251.69 1272.75 1297.52 1310.25 1341.98 1367.38 1375.16 1385.12 1400.48 1403.42 1414.78 1434.24 1438.54 1460.48 1469.43 1473.92 1495.98 1503.53 1528.06 1529.12 1582.49 1593.26 1597.61 1605.50 1609.88 1615.90 1617.42 1636.81 1643.80 1665.76 1675.06 1699.27 1705.11 1746.28 1754.16 1760.47 1774.18 1783.64 1793.15 1805.46 1817.99 1824.57 1851.28 1857.54 1867.89 1875.20 1885.11 1904.71 1916.35 1919.91 1933.46 1948.31 1955.24 1957.60 1966.76 1992.96 1997.77 2004.73 2015.87 2027.71 2066.66 2071.90 2077.05 2105.02 2126.05 2129.08 2130.21 2145.69 2158.96 2177.33 2189.37 2197.18 2200.15 2216.24 2232.47 2245.54 2258.31 2289.37 2298.25 2306.73 2316.37 2335.81 2348.63 2349.58 2351.93 2357.15 2360.76 2366.20 2369.99 2370.60 2385.22 2387.15 2388.84 2392.67 2402.76 2424.80 2529.62 2540.82 2560.85 2597.07 2616.45 2631.46 2649.31 2787.74 4469.75 4534.35 4613.08 4648.32 4662.12 4665.16 4674.49 4689.53 4694.93 4699.25 4704.36 4710.88 4717.63 4719.22 4777.50 4779.56 4793.03 4799.79 4818.02 4820.09 4824.20 4839.30 4841.67 4856.23 4870.29 4877.00 4893.43 4898.38 4920.54 4922.31 5242.59 5426.06 5638.55 0.635649 0.663127 0.664071 0.575497 -1521.971587 -1521.944109 -1521.943165 -1522.031739 2.970787D-04 MUNgauss RevisionA2.0 retrievium 02-Mar-2020 DUDE COc1ccc(cc1C[NH+]2C[C@H]3C[C@@H](C2)c4cccc(=O)n4C3)[C@@H]5c6c(c7ccccc7[nH]6)CCN5 C37229604 RHF 6-31G(d) (6D,10F) C1 481.260352 |X|Y|Z| 123.656365 59.081869 43.762348 68.379162 33 6 7 29 4 |36.858105| |13.421922|73.516695| |7.918846|24.987361|36.858105| |6.654137|13.948383|13.736067|36.858105| |4.489528|9.239166|7.958657|13.771305|36.858105| |3.756767|8.159928|6.808431|7.863311|13.696307|36.858105| |3.966133|9.397585|7.931634|6.887889|8.011353|13.757332|36.858105| |5.229930|14.575966|13.672409|7.912548|6.888215|7.860830|13.696363|36.858105| |4.624084|12.464092|7.612563|5.041129|4.464031|5.009621|7.549598|12.662376|36.858105| |4.661947|12.071830|6.202879|4.340522|3.745672|3.970735|5.270116|7.598140|12.619986|53.358707| |5.974295|16.601099|7.254497|4.866824|3.943299|3.946767|4.966726|7.435657|9.447690|25.623928|0.500000| |3.886976|8.917681|4.380550|3.330841|2.937528|3.086284|3.874231|4.990544|7.650679|17.317694|0.258989|36.858105| |3.483405|7.364171|3.575162|2.871716|2.543378|2.613750|3.117622|3.811663|4.941719|10.344545|0.194549|12.448270|36.858105| |3.042456|6.214887|3.055952|2.515742|2.257491|2.323488|2.733331|3.249107|4.147982|7.611389|0.143827|9.045785|17.564860|0.500000| |3.027999|6.347924|3.275661|2.715564|2.474494|2.582666|3.055924|3.564806|4.373894|8.778837|0.159465|7.586200|12.481605|0.244883|36.858105| |3.421134|7.380046|3.913291|3.221469|2.921318|3.044097|3.617460|4.257552|4.925826|10.360250|0.195075|6.572757|7.784772|0.155159|12.472620|36.858105| |2.973047|6.233233|3.439040|2.954527|2.762425|2.906625|3.372018|3.751015|4.123365|7.609014|0.144187|4.909392|5.586086|0.123834|8.806015|17.599492|0.500000| |3.782021|8.897092|5.037906|3.908376|3.569674|3.884112|5.005407|6.145757|7.594587|17.335073|0.257900|7.712125|6.575217|0.136763|7.601458|12.389926|0.249868|36.858105| |3.995509|8.220477|4.110094|3.433620|2.991194|2.961292|3.374775|4.061857|4.362451|8.670787|0.200350|5.421660|6.566440|0.135593|7.575424|12.566196|0.249891|7.608303|36.858105| |3.772944|7.380958|3.863320|3.434639|3.031866|2.939456|3.205964|3.694865|3.672166|6.485990|0.148894|3.995295|4.492128|0.101140|5.136845|7.634703|0.203639|5.742119|14.215676|36.858105| |4.004800|7.185952|3.657132|3.389915|2.929016|2.726566|2.869652|3.296098|3.180506|5.296724|0.125756|3.368146|3.723076|0.087338|3.910736|4.998441|0.131420|4.212505|7.938808|13.257190|36.858105| |4.613684|7.757525|3.687015|3.365083|2.820465|2.588663|2.736134|3.222823|3.164693|5.259378|0.129390|3.463542|3.858708|0.091505|3.756345|4.444469|0.110826|3.851801|6.863301|7.907925|14.241767|36.858105| |5.067332|8.808267|3.901706|3.352619|2.776363|2.596213|2.837007|3.463906|3.599949|6.305251|0.161127|4.347687|5.059759|0.117055|4.503042|5.026209|0.116500|4.301474|7.816885|6.762324|7.834193|13.096425|36.858105| |5.063066|8.252663|3.576716|3.098328|2.564614|2.388774|2.596369|3.157889|3.321147|5.556868|0.138610|4.059047|4.631148|0.113479|3.885287|4.028954|0.094914|3.615073|5.411661|4.740324|5.379851|8.101436|15.838384|73.516695| |4.600827|9.100705|4.135058|3.390944|2.860851|2.772643|3.148011|3.910624|4.316309|8.522340|0.216812|5.903833|7.570432|0.155582|6.675525|7.688499|0.158499|5.919733|13.745418|8.032739|6.900907|7.869335|13.607260|15.024251|53.358707| |4.021026|8.006842|3.646786|2.967591|2.550154|2.522986|2.909933|3.596138|4.282831|8.423650|0.192879|7.474210|12.468453|0.250108|7.624879|6.530799|0.135757|5.319082|7.578261|5.112412|4.522256|5.106832|7.900090|12.889879|17.558840|36.858105| |2.901902|5.969170|4.408501|4.994270|7.529377|12.505345|7.499159|4.977828|3.764644|4.254559|0.084820|2.561512|2.223652|0.055936|2.237582|2.582552|0.070398|3.168367|2.480097|2.492795|2.321441|2.188243|2.172807|3.581009|3.142134|2.130392|36.858105| |2.671915|5.566517|3.990230|4.189397|5.603847|8.957321|7.366866|4.793509|3.842357|4.285187|0.083087|2.612228|2.247977|0.056861|2.277223|2.597180|0.071132|3.222936|2.426861|2.401782|2.200790|2.074113|2.085641|3.443174|3.062534|2.109349|17.404003|0.500000| |2.639064|5.279233|3.737708|4.290875|6.033007|7.561700|5.364963|4.019690|3.174681|3.823844|0.077004|2.322885|2.081288|0.052322|2.142090|2.503994|0.069970|2.970326|2.428787|2.517975|2.353417|2.170618|2.102151|3.429054|3.018296|2.013812|12.665614|0.250077|36.858105| |2.323471|4.495809|3.062113|3.544629|4.699728|5.176706|3.940859|3.174901|2.606390|3.203858|0.065069|1.999779|1.821347|0.046283|1.870945|2.150685|0.060371|2.468571|2.112569|2.208682|2.106074|1.953724|1.876451|3.088961|2.653242|1.779356|7.523774|0.168668|14.169174|36.858105| |2.159137|4.136534|2.741772|3.108318|3.856459|4.095225|3.349822|2.817135|2.373707|3.017074|0.061430|1.896166|1.761558|0.044756|1.838618|2.125909|0.060738|2.381598|2.097343|2.236398|2.134010|1.947290|1.841745|3.009211|2.599027|1.728282|5.138653|0.125592|8.504209|13.166926|36.858105| |1.908135|3.588001|2.313784|2.595202|3.078404|3.166930|2.692085|2.345525|2.027835|2.617658|0.053497|1.676373|1.578854|0.040429|1.649415|1.882903|0.054020|2.059345|1.871358|2.005557|1.938975|1.775064|1.669220|2.743149|2.333682|1.558468|3.766939|0.095328|5.260465|7.276020|13.639635|36.858105| |1.808773|3.388233|2.147246|2.364749|2.710878|2.772201|2.439110|2.173181|1.911558|2.518716|0.051505|1.623357|1.550614|0.039730|1.638345|1.872938|0.054413|2.009746|1.865718|2.024072|1.956572|1.771212|1.650476|2.699253|2.306766|1.534122|3.143574|0.081440|4.174875|5.010021|7.973236|13.840875|36.858105| |1.896645|3.586075|2.267120|2.458715|2.779410|2.868137|2.577257|2.310694|2.041552|2.731575|0.055731|1.748770|1.682307|0.042840|1.804253|2.091865|0.061704|2.229743|2.076074|2.282541|2.176458|1.932800|1.788579|2.891162|2.520478|1.660432|3.157696|0.082712|4.185969|4.549961|6.873901|7.885873|13.590189|36.858105| |2.134921|4.117329|2.651885|2.864880|3.288126|3.476328|3.116536|2.743431|2.386446|3.184850|0.064664|1.997776|1.905004|0.048013|2.057292|2.436173|0.072212|2.648431|2.393224|2.636025|2.458748|2.156960|2.001671|3.201376|2.858570|1.866881|3.810217|0.099481|5.292032|5.263938|7.801030|6.750252|7.864967|13.833869|36.858105| |2.307365|4.499918|2.994914|3.318297|4.041871|4.401784|3.721806|3.126688|2.630116|3.396602|0.068830|2.100832|1.958928|0.049276|2.079922|2.459534|0.071329|2.768499|2.406324|2.596734|2.425118|2.164825|2.036246|3.276651|2.911598|1.911960|5.172509|0.129849|8.527395|8.344929|13.609840|7.894061|6.929944|8.046473|13.688883|36.858105| |2.622535|5.284976|3.666029|4.039425|5.182168|6.210935|5.065493|3.974192|3.212948|4.031529|0.080871|2.423997|2.207134|0.054995|2.330813|2.793807|0.079959|3.291065|2.689654|2.845444|2.604134|2.335641|2.233044|3.579555|3.242784|2.129560|7.477069|0.182938|13.803868|8.509619|8.483424|5.350159|4.638262|5.151807|7.588984|13.828463|53.358707| |2.855213|5.896982|4.128030|4.385644|5.399187|6.577578|5.804464|4.585469|3.670013|4.667545|0.093117|2.730944|2.478757|0.060944|2.648637|3.267653|0.093992|3.941987|3.110831|3.296614|2.936515|2.594052|2.483972|3.925513|3.666980|2.377672|6.714141|0.171344|9.037700|6.005624|5.979524|4.284863|3.945708|4.552044|6.669594|9.056237|26.134214|0.500000| |2.172450|4.136005|2.776285|3.220689|4.184003|4.455528|3.454539|2.844033|2.371939|2.883372|0.058684|1.833715|1.665047|0.042740|1.685368|1.898140|0.052716|2.163760|1.871681|1.932857|1.866442|1.764866|1.710728|2.858384|2.397972|1.631006|6.314296|0.146722|7.641627|12.695143|7.102554|5.593947|4.004672|3.507212|3.772308|5.066773|7.065749|0.116345|36.858105| |2.260001|4.371233|2.970822|3.386570|4.456075|5.057764|3.911137|3.122982|2.597954|3.058756|0.061646|1.948140|1.736528|0.044701|1.737753|1.938377|0.053223|2.250648|1.889441|1.912600|1.832164|1.752255|1.729423|2.908941|2.443393|1.683937|7.762477|0.186584|6.935826|7.751539|4.935412|3.968768|3.119789|2.881467|3.172965|4.113769|6.323343|0.110084|12.467600|36.858105| |2.716071|5.367166|3.822488|4.483836|6.482654|7.835420|5.341792|4.041957|3.182578|3.627627|0.073389|2.255346|1.973605|0.050314|1.954840|2.204101|0.059714|2.623295|2.153439|2.163454|2.064737|1.982262|1.969432|3.302740|2.792881|1.914864|13.092456|0.249227|7.991038|6.936399|4.575595|3.567316|2.914037|2.804505|3.199075|4.166210|7.002014|0.127113|7.782216|13.043190|53.358707| |17.677557|16.879948|5.842844|4.872228|3.605841|3.163334|3.402411|4.405847|4.264980|6.190873|0.162610|4.053671|3.751016|0.091831|3.144282|3.431789|0.081764|3.638823|4.079644|3.735056|4.011417|4.911674|5.874900|11.454202|6.891070|4.573684|2.528337|0.065892|2.321710|2.065219|1.940659|1.735106|1.660014|1.744586|1.948025|2.074910|3.169717|0.070328|1.939078|2.014741|3.230492|0.500000| |17.610893|16.395863|6.958619|6.717526|4.561331|3.697637|3.755104|4.703845|4.035441|5.699305|0.146617|3.461455|3.227341|0.078071|2.918221|3.386639|0.083399|3.643741|4.102059|4.108935|4.610213|5.309652|5.278154|8.925685|6.210629|3.762827|2.890178|0.072915|2.709704|2.402503|2.264047|2.007284|1.913658|2.015422|2.267452|2.431806|3.716064|0.082625|2.220938|2.260448|3.665307|0.300413|0.500000| |17.611735|16.424699|7.046344|6.635337|4.559115|3.733176|3.819081|4.810194|4.178035|5.374588|0.131406|3.392818|3.005181|0.074824|2.634243|2.914441|0.071747|3.250293|3.273108|3.126661|3.295289|3.699007|3.966175|7.226365|4.991536|3.351289|2.914694|0.074010|2.608804|2.322914|2.127328|1.884715|1.768471|1.828940|2.040698|2.229188|3.436752|0.074903|2.217771|2.332060|3.834019|0.298897|0.298242|0.500000| |7.379726|12.471766|8.879192|17.769978|8.958529|5.627965|4.964077|5.626612|4.101061|5.090683|0.118808|2.998581|2.667955|0.065547|2.510008|2.936369|0.075124|3.388017|3.234856|3.301902|3.420134|3.478130|3.384589|5.646277|4.449840|2.840700|4.091172|0.096446|3.705674|3.223502|2.889034|2.475860|2.272715|2.344307|2.671887|3.029888|4.784137|0.103683|2.989101|3.066310|5.285300|0.144858|0.227744|0.216006|0.500000| |3.891892|7.447991|5.662106|8.953445|17.747564|8.953511|5.687527|4.962350|3.567306|4.227706|0.090750|2.526249|2.239558|0.055881|2.193869|2.557569|0.068172|3.012345|2.641944|2.728748|2.693871|2.592529|2.505368|4.148460|3.448284|2.264800|7.039904|0.141278|6.252822|5.284521|4.225323|3.379268|2.905476|2.901252|3.360105|4.192016|6.920932|0.137627|4.840587|4.915766|9.496711|0.088684|0.112853|0.112217|0.216971|0.500000| |3.318685|7.602488|5.646350|4.957306|5.674134|8.940807|17.683934|8.933130|7.015111|6.746689|0.122719|3.814968|3.056378|0.075411|3.050560|3.530251|0.092959|4.910265|3.153286|2.962898|2.611915|2.478259|2.586712|4.226871|3.965554|2.760771|6.963045|0.227397|5.074633|3.772775|3.236443|2.617232|2.382654|2.523626|3.046753|3.605791|6.633242|0.153403|3.322681|3.823583|6.740456|0.081973|0.087283|0.088915|0.107671|0.124720|0.500000| |4.814493|12.552944|6.832532|4.664961|4.036191|4.328154|5.910471|8.894506|17.624752|12.478034|0.222944|7.495029|4.766860|0.115845|3.948480|4.162314|0.097200|5.619303|3.851542|3.250921|2.920247|3.004623|3.494065|5.972043|5.520290|4.234370|3.349874|0.094280|2.816702|2.371784|2.152323|1.863075|1.753340|1.850992|2.126224|2.334975|3.794588|0.086037|2.211309|2.440786|4.039796|0.126828|0.111179|0.124483|0.109477|0.091794|0.152864|0.500000| |3.668015|8.943084|5.588293|4.179394|3.984292|4.744212|7.232951|8.845486|17.629866|12.346662|0.182997|6.816957|4.554385|0.109918|4.250150|4.633076|0.112123|7.126709|3.867737|3.304089|2.830975|2.768251|3.092660|5.089787|5.044971|3.758282|3.787884|0.112707|3.179280|2.602824|2.369771|2.022611|1.906977|2.038592|2.386581|2.630853|4.391990|0.101987|2.367694|2.619893|4.302477|0.095495|0.091739|0.094553|0.096033|0.090685|0.222857|0.301320|0.500000| |4.183114|9.435145|4.410851|3.342508|2.897477|2.986791|3.685520|4.807350|7.152251|12.416892|0.227624|17.625277|8.777176|0.214719|5.505977|4.940211|0.108355|5.633148|4.537758|3.511749|3.117577|3.319669|4.227653|7.434725|7.205524|6.878092|2.471887|0.069485|2.215403|1.923841|1.808574|1.604975|1.545374|1.647318|1.865012|1.974279|3.085531|0.069890|1.789419|1.914377|3.025915|0.124764|0.099499|0.102848|0.084659|0.069469|0.099104|0.233934|0.168800|0.500000| |3.277194|7.348689|3.855697|3.026471|2.767008|2.994331|3.795813|4.607045|7.105701|12.421702|0.181844|17.594007|8.785088|0.217393|6.866321|5.734119|0.128068|6.961380|4.457821|3.463065|2.918850|2.935552|3.515515|5.877855|6.181703|5.464458|2.545285|0.073676|2.297058|1.977071|1.871201|1.654356|1.600659|1.722377|1.966550|2.070422|3.256726|0.074530|1.817218|1.945333|3.041491|0.093011|0.082216|0.082033|0.075170|0.066513|0.108836|0.189819|0.207587|0.301173|0.500000| |2.751701|5.540688|2.850086|2.431119|2.223457|2.290194|2.634771|3.011282|3.528875|6.559707|0.126973|5.509391|8.821968|0.210539|17.576833|8.818018|0.210873|5.511787|6.894304|4.997803|3.904485|3.754421|4.431533|6.833501|8.480879|7.033427|2.014340|0.056641|1.954782|1.731074|1.718129|1.558955|1.561374|1.721075|1.940327|1.935799|2.899085|0.066534|1.564490|1.599352|2.422167|0.080237|0.074797|0.066872|0.063542|0.055594|0.072748|0.090695|0.095109|0.123116|0.140666|0.500000| |2.702280|5.679120|3.029165|2.538239|2.367239|2.525571|3.011922|3.406272|4.239375|7.843344|0.134799|6.886671|8.770527|0.211536|17.551098|8.809773|0.211988|6.948758|5.509306|4.172406|3.270338|3.116924|3.600157|5.699350|6.645364|5.514042|2.225969|0.063967|2.124110|1.854278|1.819651|1.632064|1.619862|1.782354|2.032049|2.056881|3.143015|0.072610|1.672860|1.734673|2.639363|0.076880|0.072035|0.066735|0.064633|0.058449|0.086056|0.105846|0.121448|0.140261|0.204435|0.302783|0.500000| |3.206466|7.319103|4.279656|3.442959|3.282542|3.717244|4.855097|5.469986|7.020700|12.429559|0.181395|7.003453|5.797896|0.129880|6.955816|8.781004|0.215086|17.590872|5.523769|4.479815|3.442364|3.172296|3.496075|5.422283|6.211577|4.425300|3.149203|0.091995|2.933564|2.437642|2.346505|2.029803|1.979119|2.192254|2.600459|2.722024|4.413609|0.106858|2.143115|2.250565|3.531811|0.085935|0.085289|0.079155|0.082871|0.077827|0.143264|0.146507|0.217994|0.143339|0.208419|0.141875|0.209409|0.500000| |3.958600|9.363197|5.760847|4.557207|4.218500|4.620214|5.921707|7.031974|7.088129|12.412197|0.225289|5.630926|4.928134|0.108365|5.509738|8.744926|0.214631|17.664902|6.957744|6.081737|4.477471|3.938275|4.138235|6.119359|7.195228|4.436480|3.662200|0.101543|3.484225|2.825142|2.730228|2.318799|2.255217|2.527194|3.076904|3.250596|5.407294|0.138086|2.418401|2.489806|4.000238|0.101624|0.109206|0.094479|0.107007|0.097175|0.154195|0.143646|0.180048|0.127208|0.143074|0.122999|0.141504|0.300577|0.500000| |3.276874|6.467690|3.572954|3.263736|2.996142|2.963114|3.198650|3.530264|3.450926|5.844576|0.126895|3.588772|3.920660|0.090465|4.706962|7.055296|0.222629|5.542341|9.091610|17.754038|8.718522|5.646896|4.897376|6.651780|7.750475|4.142643|2.565015|0.068955|2.652734|2.323273|2.395319|2.146461|2.193604|2.525728|2.955391|2.844369|4.203422|0.100669|2.001463|1.960194|2.991069|0.088278|0.098761|0.077686|0.086088|0.075529|0.083343|0.083608|0.088910|0.087026|0.089845|0.127278|0.112004|0.125632|0.171387|0.500000| |3.530049|6.209834|3.282418|3.180381|2.816058|2.601558|2.664812|2.962890|2.797017|4.461225|0.102940|2.856826|3.092470|0.074446|3.279579|4.084030|0.112591|3.575747|5.668110|8.766227|17.724745|9.081253|5.581290|7.629530|6.761475|3.605446|2.257852|0.059062|2.337872|2.121883|2.184914|2.007092|2.048355|2.290656|2.561573|2.483135|3.545511|0.080680|1.873468|1.811784|2.749543|0.096309|0.114685|0.083307|0.090439|0.073557|0.067567|0.071537|0.070278|0.074115|0.070491|0.091630|0.078793|0.083972|0.107763|0.211483|0.500000| |4.383119|6.924196|3.321992|3.139104|2.642277|2.390633|2.476216|2.868128|2.781388|4.429870|0.106874|2.973795|3.248979|0.079586|3.124422|3.556252|0.090646|3.191481|4.951896|5.593587|8.974390|17.763142|8.858683|13.036874|7.689319|4.188269|2.044603|0.053549|2.034213|1.857259|1.852611|1.705778|1.702169|1.839639|2.023928|2.030761|2.944349|0.065683|1.694892|1.675494|2.562895|0.130805|0.143261|0.100531|0.092848|0.068740|0.062317|0.074673|0.068124|0.081047|0.071232|0.087366|0.074006|0.075183|0.091036|0.123265|0.214440|0.500000| |4.528338|8.767788|3.795909|3.063457|2.585920|2.524349|2.897535|3.637793|4.323798|7.927053|0.189325|7.058822|8.787471|0.208081|5.539233|5.022836|0.109602|4.595154|5.756571|4.298347|4.053606|4.793620|7.508868|14.647404|12.504584|17.670236|2.117182|0.057936|1.976938|1.752744|1.686093|1.520846|1.486384|1.593136|1.782445|1.843658|2.798960|0.063175|1.623645|1.687403|2.624582|0.151776|0.112818|0.104633|0.082334|0.063777|0.075539|0.125548|0.102898|0.213187|0.142843|0.141192|0.123119|0.108436|0.110448|0.098555|0.091847|0.114293|0.500000| |3.396020|6.460779|3.038437|2.565466|2.242852|2.215978|2.505547|2.990287|3.458305|6.302600|0.138764|5.519044|8.884900|0.226376|6.688222|5.426283|0.121832|4.278601|6.248279|4.602153|4.214651|4.781156|6.980740|12.093361|12.443150|17.588174|1.909456|0.052588|1.825134|1.632021|1.598091|1.455823|1.442624|1.560769|1.737302|1.760792|2.630670|0.059411|1.501700|1.541388|2.356259|0.107181|0.090248|0.080629|0.069155|0.056222|0.066686|0.095414|0.087092|0.144460|0.123975|0.200527|0.139467|0.103455|0.102089|0.105692|0.095370|0.112304|0.305237|0.500000| |1.802821|3.359884|2.153110|2.421667|2.858932|2.910811|2.475227|2.170176|1.886762|2.422304|0.049575|1.565643|1.472840|0.037926|1.525884|1.722157|0.049061|1.879153|1.715835|1.824890|1.778720|1.647927|1.557089|2.580837|2.164851|1.456732|3.473183|0.088112|4.562634|6.451002|8.845864|17.711771|8.931939|5.616232|4.887575|5.612472|5.894441|0.099230|5.863597|4.027899|4.720564|0.045647|0.052442|0.049947|0.064790|0.088275|0.066889|0.048679|0.052248|0.041942|0.042961|0.040139|0.041967|0.051518|0.058119|0.053673|0.051016|0.044285|0.039716|0.037895|0.500000| |1.659357|3.079272|1.926078|2.109170|2.377242|2.408552|2.146454|1.939091|1.726520|2.285805|0.046814|1.490172|1.432175|0.036903|1.509940|1.708119|0.049574|1.812541|1.707597|1.849371|1.802585|1.641979|1.529784|2.515873|2.126284|1.421354|2.694199|0.070438|3.410733|4.035156|5.656985|8.956208|17.724421|8.887615|5.628714|4.982293|5.004683|0.089722|3.464583|2.755708|3.478739|0.042591|0.048716|0.045200|0.056903|0.070737|0.058382|0.044357|0.047828|0.039549|0.040833|0.040225|0.041480|0.049623|0.055829|0.055385|0.052592|0.044127|0.038315|0.037351|0.215447|0.500000| |1.782341|3.349826|2.082857|2.228560|2.459039|2.520367|2.316310|2.116736|1.901913|2.581241|0.052698|1.670101|1.626351|0.041552|1.756167|2.025277|0.060250|2.117019|2.015192|2.229774|2.131694|1.884625|1.735665|2.804239|2.441284|1.609168|2.709568|0.071883|3.420986|3.621594|4.952691|5.636219|8.887458|17.717530|8.972589|5.690394|5.624106|0.106591|2.930056|2.479325|3.305796|0.045959|0.052673|0.047547|0.059501|0.070594|0.063241|0.048085|0.052759|0.043624|0.045687|0.046962|0.048180|0.057830|0.065932|0.068974|0.062839|0.049941|0.042708|0.042331|0.124007|0.215705|0.500000| |2.180956|4.240558|2.701789|2.845708|3.173757|3.371337|3.141953|2.817593|2.487930|3.392739|0.068617|2.121534|2.043623|0.051218|2.247736|2.702637|0.081823|2.902254|2.634677|2.939153|2.683264|2.307803|2.133052|3.373301|3.080037|1.995318|3.537267|0.094212|4.604642|4.293206|5.570250|4.886890|5.600927|8.900300|17.702966|8.827418|9.121548|0.187698|3.219122|2.832750|3.984753|0.055636|0.064420|0.057147|0.073423|0.087530|0.085809|0.060985|0.069227|0.054382|0.057974|0.058991|0.061645|0.079083|0.094348|0.094115|0.077739|0.059482|0.052328|0.051618|0.106393|0.123775|0.215112|0.500000| |2.216532|4.137994|2.756852|3.280736|4.211520|4.164393|3.222076|2.736418|2.274712|2.785497|0.057399|1.775964|1.620842|0.041625|1.629422|1.833004|0.050653|2.069213|1.834783|1.904900|1.867645|1.777241|1.712196|2.872885|2.370466|1.606343|5.329550|0.121487|6.128448|8.892472|6.084667|5.194098|3.807067|3.305087|3.477931|4.481564|6.115956|0.104449|17.530530|8.838028|9.238487|0.054733|0.063437|0.063447|0.086896|0.142908|0.084007|0.059493|0.062123|0.048468|0.048469|0.042191|0.044593|0.056265|0.064104|0.054399|0.052340|0.047816|0.044647|0.041154|0.156708|0.093439|0.077685|0.083106|0.500000| |1.934165|3.662493|2.407329|2.724337|3.385544|3.613771|2.954309|2.479334|2.123425|2.610389|0.052895|1.683320|1.540513|0.039789|1.566398|1.748572|0.048859|1.969655|1.717105|1.772866|1.711515|1.617978|1.568891|2.628596|2.199791|1.505216|4.865537|0.122574|5.794654|8.885313|6.495144|5.788727|4.101593|3.461098|3.572003|4.573026|6.015381|0.100712|17.543005|8.858211|7.678736|0.048537|0.054851|0.054693|0.071002|0.105483|0.080701|0.055252|0.059389|0.045583|0.046594|0.040616|0.043395|0.054609|0.060492|0.051171|0.047873|0.043270|0.041526|0.038754|0.182986|0.100879|0.080898|0.084346|0.302685|0.500000| |2.153992|4.100302|2.735041|3.110679|3.932986|4.237205|3.405381|2.825060|2.390678|2.822590|0.057160|1.823336|1.629372|0.042221|1.616383|1.782357|0.048699|2.048142|1.748104|1.763108|1.704994|1.647638|1.631471|2.769921|2.287426|1.587746|5.679117|0.141767|5.037710|5.608236|4.001452|3.428392|2.757755|2.530191|2.720958|3.379157|5.035462|0.090620|8.819188|17.590002|12.555488|0.053608|0.059550|0.062558|0.079983|0.121460|0.092075|0.063569|0.066616|0.050264|0.050516|0.041498|0.044760|0.056763|0.062111|0.049803|0.046832|0.044078|0.044489|0.040525|0.099545|0.069299|0.061508|0.068224|0.219806|0.205952|0.500000| 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