Version2.2 2021-02-11T20:52:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C63694303 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C01[X(C20H29N5O3S1)] 168 C1 497 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(NCCC1[NH+]=C2C=CC=CC2=[NH+]1)[C@@H]3C[C@H](C4CC4)N(N3)[C@@H]5CC[S](=O)(=O)C5 InChIKey=JNCPGKJGHKKBBD-FHLIZLRMSA-P InChI=1S/C20H27N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,24H,5-12H2,(H,21,26)/p+2/t14-,17+,18-/m1/s1 InChI=1/C20H27N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,24H,5-12H2,(H,21,26)/p+2/t14-,17+,18-/m1/s1/fC20H29N5O3S/h21-23H/q+2 c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C01[X(C20H29N5O3S1)] 168 C01 497 O=C([C@H]1NN([C@H](C1)C1CC1)[C@@H]1CCS(=O)(=O)C1)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C([C@H]1N[N@@]([C@H](C1)C1CC1)[C@@H]1CC[S]([O])([O])C1)NCC[C@@H]1[NH][C]2[CH]=CC=[CH][C]2[NH]1 [O][S]1([O])CC[C@H](C1)N2N[C@@H](C[C@@H]2C3CC3)C(=O)NCCC4N[C]5C=CC=C[C]5N4 InChIKey=CVGWNFUCIYJZAV-FHLIZLRMSA-N InChI=1S/C20H29N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,22-24H,5-12H2,(H,21,26)/t14-,17+,18-/m1/s1 InChI=1/C20H29N5O3S/c26-20(21-9-7-19-22-15-3-1-2-4-16(15)23-19)17-11-18(13-5-6-13)25(24-17)14-8-10-29(27,28)12-14/h1-4,13-14,17-19,22-24H,5-12H2,(H,21,26)/t14-,17+,18-/m1/s1/f/h21H 3270.1404054731 -1667.9252222 1-A 12455.4909 111 386 497 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.36501 -20.74892 -20.73762 -20.73651 -15.95720 -15.94487 -15.79899 -15.76819 -15.76401 -11.65297 -11.63870 -11.61622 -11.56250 -11.55694 -11.53868 -11.53048 -11.52254 -11.49770 -11.49710 -11.46383 -11.46119 -11.44564 -11.44210 -11.44189 -11.42085 -11.41110 -11.39637 -11.37980 -11.37803 -9.34443 -7.03019 -7.02898 -7.02876 -1.69540 -1.64825 -1.60721 -1.56125 -1.52729 -1.51472 -1.45108 -1.44641 -1.34982 -1.34504 -1.32701 -1.31759 -1.27326 -1.26021 -1.22803 -1.20509 -1.19430 -1.17071 -1.15222 -1.15135 -1.11308 -1.06960 -1.04333 -1.04178 -1.03467 -1.00021 -0.99739 -0.98723 -0.98118 -0.97776 -0.95580 -0.95318 -0.93913 -0.91101 -0.90856 -0.90513 -0.90367 -0.89748 -0.88218 -0.87068 -0.85923 -0.84659 -0.84067 -0.83170 -0.82647 -0.82406 -0.81742 -0.81025 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135.4104 148.5428 169.2061 184.9933 197.6323 233.0654 245.0454 251.5741 266.4467 280.5143 302.2407 320.8134 340.0221 361.3629 375.8230 392.4325 421.0588 428.5658 456.4216 457.5613 473.8063 477.8625 506.6097 517.4439 525.7758 537.4604 557.5699 574.8098 591.0771 596.3399 614.2068 642.4629 654.9786 723.1970 762.7913 776.6044 787.7211 807.3202 823.9553 833.2542 859.2444 861.9399 871.1416 881.0985 903.8577 909.4052 921.6700 928.0674 948.2508 956.2773 959.4712 971.5186 978.5003 980.5354 1009.0081 1009.8283 1026.7207 1036.2531 1049.7807 1056.2285 1073.4225 1081.4185 1094.5060 1105.4560 1110.1596 1132.6465 1144.9607 1146.5038 1163.1263 1164.2574 1174.9400 1185.5403 1197.1483 1201.0993 1207.3795 1226.9058 1235.9567 1248.3436 1256.8738 1263.8460 1268.5741 1273.0870 1297.0447 1303.7677 1312.0042 1316.1196 1317.5645 1323.8463 1337.6195 1343.6933 1371.2962 1379.8116 1387.5828 1402.6491 1414.2421 1427.3350 1430.9432 1432.3845 1441.7887 1458.7981 1470.6124 1473.7836 1476.2285 1491.2699 1497.2480 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4.6665 0.0813 0.3529 7.4942 1.0299 5.6155 12.6456 1.5600 12.0500 6.8739 1.0201 17.3950 15.3725 16.0876 42.3793 8.2061 19.1812 23.1910 18.2057 3.7238 72.1749 13.6628 11.2276 3.8952 5.9623 8.3467 30.4537 1.8326 2.4492 16.4813 2.1806 2.1843 24.9583 1.3447 1.1424 3.6060 4.6734 147.8030 8.5123 23.3759 6.7945 13.8878 0.0501 10.0583 7.2850 2.9218 41.4434 4.8079 1.0510 30.4535 20.6981 7.7903 22.3182 9.4898 24.5030 74.2425 15.7081 22.4882 20.5538 8.7070 7.4894 9.2554 13.0470 13.1663 54.4090 18.9157 334.0209 6.9097 18.3395 66.7104 3.7497 14.1385 18.4275 1.1123 5.7561 48.0882 31.2925 26.3914 3.0437 24.4134 20.7697 11.0874 6.0956 19.6494 235.0294 31.7799 5.5272 56.4676 36.9733 4.3214 5.7827 2.8282 11.1991 16.3863 5.0874 5.4116 15.7262 32.0066 3.6647 10.0118 2.7507 27.6177 26.3148 22.3704 61.3152 122.3315 10.7924 29.0647 7.0533 57.6846 1.5374 136.0125 11.1968 5.2607 12.0542 26.5999 5.3075 221.5189 124.0921 9.1964 411.7432 130.2245 251.8612 36.9090 34.2502 18.7913 9.1972 9.6576 16.0219 15.9410 1.9340 0.3525 8.0717 11.9498 17.0117 29.0914 9.9548 30.4188 2.1956 0.1906 1664.7964 7.1291 1.5575 0.6856 22.3326 12.8801 123.4350 105.7848 6.7417 1.2991 261.5660 77.0815 1.6736 1.4694 2.2229 0.9458 2.1979 0.9184 2.1705 1.1686 1.1297 0.2096 0.8488 0.6752 0.2127 0.5244 0.7891 0.4080 1.6646 1.6340 0.2354 0.3316 1.8846 0.2210 1.8354 2.0678 1.2417 1.3256 0.4906 3.4381 3.4014 1.8634 2.6858 8.7210 2.4075 3.6159 0.4733 5.5132 1.9535 2.0424 1.0691 5.0344 1.4497 5.3941 0.8956 5.2491 15.8031 7.2119 3.0648 3.2159 2.3250 5.8328 3.4230 3.6272 4.9222 5.8596 2.8239 5.0440 16.9562 1.8732 3.7680 3.4659 2.2694 0.1153 21.0721 12.3584 7.3796 18.5941 3.1221 3.7116 5.5910 4.5474 8.4979 14.8793 3.1498 2.9452 18.5468 2.7782 1.9797 4.8965 10.4089 6.2565 4.6706 20.1221 5.4340 0.6976 15.3971 7.3863 0.9100 5.5549 3.5401 0.4495 3.8967 4.0671 16.3052 5.5134 23.9229 17.2429 26.8037 2.0981 4.6531 3.6989 2.9007 10.8626 10.2862 24.2388 1.1236 3.8090 4.0878 27.3528 18.0618 4.2657 13.6422 21.4313 3.8888 2.7732 4.0530 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6 6 16 8 8 6 6 6 6 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 14.00307 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 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 6851.8549 16470.4109 21122.9721 0.99999 0.00398 -0.00265 -0.00397 0.99998 0.00531 0.00267 -0.00530 0.99998 1 0.01264 0.00526 0.00410 0.26339 0.10957 0.08544 32.33 58.93 65.81 85.08 105.39 114.05 128.81 137.01 151.94 172.09 194.83 213.72 243.45 266.16 284.35 335.33 352.57 361.96 383.36 403.60 434.86 461.58 489.22 519.92 540.73 564.62 605.81 616.61 656.69 658.33 681.70 687.54 728.90 744.49 756.47 773.29 802.22 827.02 850.43 858.00 883.71 924.36 942.37 1040.52 1097.49 1117.36 1133.36 1161.55 1185.49 1198.87 1236.26 1240.14 1253.38 1267.70 1300.45 1308.43 1326.08 1335.28 1364.32 1375.87 1380.47 1397.80 1407.84 1410.77 1451.74 1452.92 1477.22 1490.94 1510.40 1519.68 1544.42 1555.92 1574.75 1590.50 1597.27 1629.63 1647.34 1649.56 1673.48 1675.11 1690.48 1705.73 1722.43 1728.11 1737.15 1765.24 1778.27 1796.09 1808.36 1818.39 1825.20 1831.69 1866.16 1875.83 1887.68 1893.60 1895.68 1904.72 1924.54 1933.28 1972.99 1985.24 1996.42 2018.10 2034.78 2053.62 2058.81 2060.88 2074.41 2098.89 2115.88 2120.45 2123.96 2145.60 2154.21 2161.83 2191.40 2195.93 2198.83 2218.31 2244.91 2259.18 2288.05 2291.34 2303.03 2315.96 2322.54 2332.33 2354.95 2363.43 2373.03 2385.10 2405.01 2468.73 2492.92 2596.63 2604.33 2698.14 2740.77 4513.82 4585.91 4652.64 4660.08 4661.12 4672.51 4686.27 4722.98 4731.56 4745.18 4749.85 4760.41 4760.44 4762.52 4768.53 4778.80 4827.47 4830.77 4856.73 4872.77 4876.05 4897.12 4899.78 4905.15 4920.29 4925.29 5230.37 5447.71 5582.37 0.532300 0.556330 0.557274 0.478113 -1667.392922 -1667.368892 -1667.367948 -1667.447109 2.655073D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE c1ccc2=[NH+]C([NH+]=c2c1)CCNC(=O)[C@@H]3C[C@@H](N(N3)[C@@H]4CCS(=O)(=O)C4)C5CC5 C63694303 RHF 6-31G(d) (6D,10F) C1 419.199112 |X|Y|Z| 27.758239 57.143855 91.756734 52.601702 26 6 7 16 20 5 1 |36.858105| |12.871189|36.858105| |7.630580|14.152970|36.858105| |6.841507|8.141486|13.393789|36.858105| |4.722940|5.304567|7.684232|14.840479|53.358707| |3.969086|4.643586|6.751652|9.399171|25.821334|0.500000| |4.159575|4.163827|5.135407|8.264961|17.622928|0.242741|36.858105| |5.312552|4.751012|5.349319|8.553238|11.644367|0.165443|13.103212|53.358707| |4.652566|3.981165|4.227307|5.901558|8.040437|0.126960|8.724830|25.186377|0.500000| |8.099119|6.876264|7.503143|12.754519|11.652039|0.165169|8.327076|20.413933|0.260506|36.858105| |14.260360|7.683961|6.420508|7.455825|7.235766|0.117341|5.131869|10.443825|0.187669|13.181280|36.858105| |3.347202|3.354602|3.990295|5.511920|10.313377|0.184033|12.281027|10.207036|0.180928|5.512412|3.971530|36.858105| |2.713552|2.683846|3.076839|3.943073|6.816160|0.130920|7.276690|7.267622|0.146018|4.056697|3.172305|12.360036|36.858105| |2.585284|2.467694|2.719733|3.403452|5.427792|0.101396|5.621578|6.749126|0.151490|3.750899|3.075524|7.508250|13.163979|53.358707| |2.726854|2.532633|2.736632|3.433871|5.276539|0.095891|5.533275|7.381814|0.181956|3.993397|3.326087|6.000476|7.835240|19.252500|36.858105| |3.131600|2.884556|3.137203|4.068802|6.258171|0.109779|7.010138|9.740983|0.248876|4.903148|3.925310|6.321155|7.047531|11.735373|15.726287|73.516695| |2.365999|2.175199|2.288970|2.748474|4.054937|0.075241|3.866104|5.417361|0.132607|3.180833|2.827513|4.092903|5.015055|10.531645|12.477843|14.066075|36.858105| |2.165317|2.021130|2.138537|2.538252|3.780415|0.071469|3.527516|4.758103|0.111533|2.853391|2.537772|3.697813|4.676979|9.032386|9.161675|11.892467|17.549061|0.500000| |2.153313|1.984172|2.069760|2.432682|3.544486|0.066589|3.242080|4.548274|0.108344|2.776376|2.528847|3.606007|4.304538|8.701647|7.256279|9.166474|12.284428|0.241258|36.858105| |2.135171|1.929178|1.967583|2.273324|3.210122|0.059949|2.851521|4.194241|0.101148|2.642628|2.506407|3.025310|3.350014|6.074702|5.250364|7.643174|7.862500|0.168475|12.355287|36.858105| |1.952213|1.774443|1.805705|2.062097|2.908235|0.054819|2.542370|3.694818|0.087414|2.364195|2.259836|2.655062|2.956433|5.176021|4.449248|6.706077|6.664969|0.162426|8.797210|17.429120|0.500000| |2.485305|2.193165|2.218319|2.598041|3.615381|0.066129|3.267949|5.064331|0.128689|3.141923|3.004265|3.308614|3.527908|6.299714|6.038357|9.434934|8.434110|0.168053|8.296202|12.923033|0.251126|53.358707| |2.474955|2.216707|2.278054|2.702482|3.841891|0.070429|3.560632|5.356124|0.135670|3.230272|2.990688|3.516045|3.913300|7.113120|7.806615|12.270545|13.155474|0.255398|8.007473|8.362839|0.206831|18.239684|53.358707| |2.507582|2.168452|2.141061|2.452634|3.314484|0.060622|2.886693|4.598139|0.114720|2.991314|3.009117|2.812610|2.879954|4.774566|4.362108|7.518638|5.325963|0.121575|5.127162|7.393896|0.184798|17.836240|11.027843|36.858105| |2.241329|1.964414|1.941178|2.194992|2.978906|0.055167|2.556586|3.962097|0.095802|2.612283|2.628339|2.489193|2.588006|4.233978|3.807899|6.557797|4.781174|0.116274|4.614217|6.601104|0.192717|12.226655|9.668833|17.481081|0.500000| |2.476323|2.123724|2.064187|2.320047|3.082971|0.056595|2.609281|4.171756|0.101136|2.813830|2.924231|2.579753|2.568706|4.133863|3.525193|6.065354|4.011611|0.093811|4.211869|5.883763|0.144239|10.365471|6.935400|12.360821|0.243761|36.858105| |2.953682|2.467519|2.370769|2.679806|3.491321|0.063129|2.943421|4.900242|0.120024|3.353198|3.574372|2.895851|2.761537|4.351921|3.634080|6.402446|3.798832|0.087730|3.907875|4.835794|0.113288|8.524751|6.159636|7.629847|0.153920|12.384505|36.858105| |3.742381|2.991658|2.853435|3.314619|4.225570|0.074276|3.631298|6.579937|0.172302|4.467728|4.891585|3.331489|3.087521|4.772056|4.198996|8.067706|4.110769|0.094910|3.773567|4.288108|0.102841|8.324171|6.947095|7.239717|0.147284|7.196833|10.634579|388.023441| |4.194972|3.399586|3.358976|4.148170|5.368870|0.091306|4.911823|9.791782|0.299368|5.988776|5.881305|4.464414|3.954397|6.110195|5.401875|10.738715|4.718988|0.105798|4.186010|4.329687|0.100558|8.144895|7.293672|5.676304|0.120657|5.255725|7.173076|92.638930|73.516695| |4.325054|3.271834|2.976118|3.320269|4.052439|0.071489|3.289475|5.947185|0.142174|4.460497|5.535516|2.927254|2.652977|3.910811|3.316386|6.516235|3.189441|0.077128|2.939004|3.253248|0.081396|5.751472|5.170675|5.009249|0.114882|5.247810|7.043041|93.907667|13.883150|73.516695| |2.982666|2.503016|2.437512|2.809832|3.710191|0.066698|3.223913|5.415288|0.138480|3.563900|3.688740|2.968494|2.931128|4.666556|4.345765|8.265189|4.728852|0.110878|4.117077|4.958539|0.125738|10.707963|9.475723|12.385206|0.245063|7.872114|7.123137|75.867387|12.612661|12.673937|36.858105| |2.028745|1.835332|1.857087|2.111954|2.949727|0.055422|2.549288|3.750653|0.088265|2.430334|2.346068|2.750182|2.951048|5.090128|4.031680|6.089123|5.073890|0.116886|7.538448|12.612958|0.248410|10.141605|7.018355|5.796760|0.143975|5.899989|4.981500|27.821826|6.896480|5.438564|4.097243|36.858105| |1.758805|1.617950|1.643564|1.844277|2.591580|0.049470|2.198021|3.144180|0.071837|2.066568|1.991149|2.395103|2.605421|4.362446|3.304968|5.025163|4.057900|0.100713|5.861208|7.372786|0.192721|6.622760|5.340172|4.104687|0.109860|4.181075|3.635150|21.266831|5.309036|4.389227|3.135456|12.671396|36.858105| |1.815584|1.645524|1.648237|1.838092|2.539593|0.048121|2.138159|3.139716|0.072412|2.089973|2.059816|2.263700|2.395138|3.941085|3.099236|4.884233|3.775924|0.092738|4.932861|7.230013|0.195453|7.194135|5.437985|4.938281|0.134183|5.463680|4.326129|23.715143|5.596189|4.876719|3.561293|12.671034|12.781957|36.858105| |17.740560|8.713083|5.571598|4.942804|5.076976|0.090275|3.393494|5.725231|0.107918|5.690465|9.118557|2.843445|2.378665|3.137242|2.438824|4.893306|2.172425|0.055416|2.001530|2.017205|0.051593|3.181429|3.130691|2.409279|0.060280|2.422273|2.882016|25.401074|6.702522|7.709490|2.860911|1.935655|1.685640|1.757580|0.500000| |8.713689|17.726081|9.106055|5.720410|5.725025|0.107795|3.396591|5.099820|0.090480|4.958336|5.596133|2.850455|2.345336|2.952994|2.216030|4.414347|1.938563|0.050423|1.787038|1.747449|0.044984|2.673306|2.691698|1.957058|0.049743|1.933341|2.221966|18.664791|5.141827|5.146497|2.234110|1.675583|1.491997|1.519824|0.216002|0.500000| |5.467854|8.938449|17.757826|8.725149|9.089379|0.188163|4.465810|5.879210|0.097931|5.410993|4.715660|3.653096|2.882390|3.420580|2.487917|4.984149|2.098253|0.055102|1.910960|1.805916|0.046341|2.727730|2.811706|1.926813|0.049006|1.858632|2.103109|17.548440|5.081960|4.531821|2.157882|1.711007|1.533148|1.527735|0.122679|0.215386|0.500000| |3.681874|3.683407|4.433791|6.436119|12.408577|0.205407|17.622362|12.565895|0.205957|6.477961|4.436481|8.672036|7.116336|7.620661|5.824504|14.145196|4.042270|0.105965|3.245499|2.831923|0.071325|4.421054|5.047913|2.867251|0.071687|2.524995|2.761241|24.315188|7.851933|5.509132|3.216927|2.473831|2.147714|2.087482|0.085541|0.085565|0.110523|0.500000| |8.945574|5.482098|4.714366|5.393638|5.863257|0.098090|4.482507|9.111912|0.189894|8.670439|17.740451|3.643495|3.032457|4.167201|3.401149|7.064025|2.976038|0.073219|2.671883|2.722218|0.067913|4.561067|4.434313|3.466403|0.082689|3.407556|4.301762|45.587722|12.854730|14.267568|4.427891|2.547164|2.126719|2.239450|0.214400|0.122776|0.103483|0.111069|0.500000| |3.465849|3.378134|3.880647|5.210868|8.575368|0.149863|8.783169|10.023216|0.188625|5.587189|4.172801|17.593348|8.750224|9.604874|5.727596|10.194640|4.085537|0.098991|3.779191|3.218868|0.076830|4.790893|4.851039|2.980659|0.072028|2.801404|3.239960|25.947327|8.981073|5.608990|3.108369|3.002094|2.576816|2.439638|0.082251|0.079743|0.097024|0.175577|0.108199|0.500000| |3.155657|3.303594|4.047989|5.348565|10.415753|0.213294|8.943171|7.844837|0.136531|4.798851|3.570108|17.566952|8.965417|7.664187|4.557061|8.404206|3.370296|0.087087|3.062542|2.609511|0.064670|3.800060|3.999975|2.427310|0.060578|2.263997|2.525091|20.210488|6.459581|4.572904|2.547751|2.422215|2.159979|2.036102|0.074821|0.079100|0.107253|0.192303|0.089431|0.303891|0.500000| |2.441775|2.447305|2.795917|3.446853|5.831050|0.117201|5.490902|5.781182|0.115368|3.442357|2.781709|8.980556|17.630095|12.718631|5.805158|9.049622|4.262797|0.112873|3.952708|3.081740|0.076208|4.246092|4.571567|2.575547|0.064999|2.347913|2.510973|19.272448|5.975263|4.195388|2.569085|2.801265|2.544792|2.298321|0.060151|0.060320|0.074243|0.146065|0.073894|0.204628|0.233622|0.500000| |2.614132|2.616907|3.023317|3.839988|6.753620|0.133852|6.979179|6.741994|0.132961|3.845944|3.017519|8.816900|17.557346|12.419719|7.016499|12.340006|4.703270|0.129704|3.858679|3.066094|0.077264|4.425770|5.101360|2.710217|0.068870|2.384076|2.518126|20.331640|6.315074|4.448959|2.799463|2.662746|2.379053|2.207404|0.063755|0.063831|0.079614|0.222814|0.079653|0.173347|0.206085|0.303679|0.500000| |2.308675|2.210764|2.411059|2.926512|4.571019|0.087352|4.400150|5.426903|0.120709|3.177452|2.694261|5.780463|9.084079|26.054505|9.374602|10.929776|7.337393|0.181549|7.211913|4.660376|0.110500|6.051474|6.577209|3.344971|0.083627|2.943066|3.036925|22.562223|6.906777|4.648800|3.140782|3.983180|3.520053|3.053120|0.057977|0.054716|0.062588|0.121085|0.075064|0.159035|0.132152|0.238348|0.192879|0.500000| |2.239616|2.070532|2.170455|2.564611|3.753727|0.070391|3.444971|4.802343|0.113457|2.919771|2.634089|4.022344|4.758101|9.827417|7.096422|8.956648|8.651399|0.178160|17.585352|8.871250|0.175377|9.370449|8.379971|4.570212|0.110730|4.047555|4.005946|26.954436|7.801330|5.255627|3.818199|7.385983|5.750772|4.713235|0.057523|0.051640|0.055617|0.092805|0.076729|0.121803|0.094254|0.123904|0.112178|0.239724|0.500000| |1.930718|1.802893|1.886405|2.188424|3.205700|0.061243|2.868289|3.916290|0.090373|2.436692|2.225857|3.207593|3.908057|7.458642|5.729682|7.599621|8.632451|0.223654|17.608466|8.693278|0.220765|8.025857|8.214343|4.161817|0.109978|3.531667|3.243419|22.166578|6.020726|4.489188|3.417099|6.358881|5.911882|4.626534|0.050090|0.045494|0.048930|0.080683|0.064630|0.091554|0.077847|0.103569|0.099796|0.182535|0.301884|0.500000| |2.227427|2.011775|2.059272|2.397236|3.398035|0.063228|3.056612|4.498911|0.109347|2.799827|2.632021|3.013052|3.372403|5.882434|5.887333|9.506174|9.499356|0.242567|6.854975|7.624378|0.227810|13.023877|25.697295|7.310253|0.211135|4.672611|3.937240|30.376984|7.561461|5.970469|6.048224|4.793910|3.845965|3.953054|0.058138|0.050405|0.052372|0.089491|0.079230|0.083889|0.071798|0.082450|0.091889|0.115057|0.143057|0.160997|0.500000| |2.230281|1.948130|1.908355|2.133760|2.866046|0.053164|2.414767|3.754807|0.089280|2.529624|2.588878|2.449362|2.474328|4.006579|3.317515|5.530690|3.852455|0.090921|4.349733|6.383686|0.156803|9.365244|6.277063|8.664038|0.201998|17.718139|8.799238|37.845396|7.777220|7.340038|5.607261|7.478330|5.135898|7.564426|0.060554|0.049584|0.048195|0.064821|0.081707|0.074158|0.060239|0.063867|0.063432|0.081282|0.117047|0.103151|0.120335|0.500000| |2.377757|2.033671|1.954026|2.160423|2.842524|0.052461|2.358554|3.755521|0.089072|2.595145|2.756731|2.296935|2.273871|3.570296|3.016193|5.306640|3.378043|0.081874|3.458146|4.577164|0.120046|7.625529|5.782753|8.916916|0.221832|17.573880|8.825681|43.966618|7.844269|9.167790|7.078909|4.577727|3.546625|4.606626|0.065695|0.051918|0.049015|0.063843|0.089533|0.068442|0.056741|0.058027|0.059452|0.070524|0.091801|0.083468|0.113006|0.304135|0.500000| |2.915575|2.479263|2.419611|2.764646|3.652237|0.066074|3.113171|5.108654|0.124811|3.428018|3.528636|3.177414|3.022837|4.826861|3.912035|6.666205|4.018043|0.091100|4.326679|5.190549|0.115813|8.576110|6.116604|6.380408|0.132673|8.677332|17.650411|57.796809|13.004981|9.961932|5.675754|5.669418|4.017286|4.591535|0.077736|0.061761|0.059807|0.079703|0.114014|0.101725|0.076478|0.076880|0.074782|0.094458|0.129882|0.098122|0.106407|0.218172|0.173730|0.500000| |2.943983|2.440430|2.301088|2.538969|3.253828|0.059210|2.661246|4.397522|0.103638|3.132007|3.463114|2.601685|2.446895|3.742383|3.045204|5.435407|3.127382|0.074438|3.214860|3.847282|0.093775|6.315102|4.927870|5.594888|0.125149|8.639495|17.628637|57.341110|10.119975|12.478521|5.567839|4.081529|3.178708|3.779076|0.081832|0.061776|0.056813|0.069100|0.116262|0.080592|0.064262|0.062565|0.062436|0.072909|0.091989|0.076577|0.090311|0.194038|0.221227|0.299099|0.500000| |2.858864|2.390439|2.290086|2.573595|3.351957|0.060851|2.818608|4.661655|0.113540|3.200822|3.430849|2.578905|2.529869|3.914807|3.510198|6.693527|3.784376|0.092819|3.389823|4.053381|0.107444|7.702556|7.064276|8.750835|0.217793|6.961996|6.110390|58.084220|9.648375|12.640373|17.598201|3.516033|2.802627|3.231092|0.078032|0.060061|0.056584|0.078411|0.114785|0.074492|0.062771|0.062499|0.067911|0.074087|0.087854|0.081091|0.135953|0.140645|0.206808|0.132003|0.147306|0.500000| |3.050740|2.592784|2.565462|3.009398|4.029666|0.072105|3.581575|5.997436|0.155700|3.823168|3.808277|3.205540|3.204417|5.098771|4.990674|10.077367|5.306479|0.126132|4.211038|4.711985|0.121220|9.933748|11.099782|8.609468|0.198053|5.611246|5.327003|57.126913|12.184376|10.624669|17.684891|3.730796|2.932585|3.195920|0.079757|0.063776|0.063044|0.102353|0.123330|0.090766|0.075610|0.076449|0.086686|0.093078|0.106643|0.097440|0.191834|0.123355|0.141538|0.129477|0.120881|0.297751|0.500000| |2.178412|1.961619|1.981874|2.261003|3.142237|0.058694|2.714163|4.038215|0.095166|2.621031|2.533019|2.967599|3.102208|5.297642|4.082451|6.217514|4.739304|0.107273|6.629344|8.721475|0.172985|9.229503|6.429392|5.399067|0.126847|5.940848|5.675004|30.114614|7.671399|5.820778|4.066303|17.667457|8.667794|8.616901|0.057578|0.049560|0.050487|0.071623|0.076520|0.092631|0.072335|0.081982|0.076127|0.113964|0.209397|0.150454|0.116705|0.203215|0.125628|0.199582|0.127909|0.096302|0.101929|0.500000| |1.706868|1.580562|1.607887|1.794460|2.522753|0.048405|2.117589|3.004177|0.067718|1.990476|1.916657|2.339249|2.523045|4.136279|3.027132|4.634571|3.530925|0.088377|4.908434|5.504433|0.140276|5.485702|4.548172|3.470317|0.091660|3.639925|3.339179|19.536273|4.948623|4.102807|2.775023|8.576841|17.726372|8.603978|0.045472|0.040619|0.041836|0.056943|0.056433|0.070502|0.059275|0.069677|0.063501|0.093512|0.144167|0.138583|0.089688|0.121846|0.087185|0.104559|0.083069|0.069523|0.072388|0.213667|0.500000| |1.665288|1.543144|1.575682|1.767581|2.502591|0.048059|2.124380|2.995897|0.068055|1.962884|1.877824|2.309690|2.565612|4.302359|3.265674|4.934533|4.124804|0.106603|5.933386|6.924598|0.205681|6.167580|5.311335|3.799344|0.105337|3.663865|3.166812|19.425882|4.876796|4.054289|2.950070|8.563563|17.701417|8.632534|0.044258|0.039593|0.041021|0.058442|0.055338|0.067774|0.058085|0.069831|0.066007|0.097568|0.150682|0.185149|0.110072|0.119399|0.088521|0.094793|0.077390|0.073675|0.078378|0.171618|0.293341|0.500000| |1.747903|1.583702|1.582598|1.758520|2.425632|0.046039|2.036043|2.989469|0.068876|1.996726|1.976662|2.121107|2.252661|3.680715|2.951854|4.716955|3.663478|0.092225|4.543058|6.728602|0.211295|6.988213|5.474977|5.089307|0.149966|5.355373|3.999105|22.785433|5.262029|4.748206|3.611490|8.561576|8.628501|17.695435|0.047173|0.040737|0.040798|0.055877|0.059811|0.062570|0.053103|0.059690|0.058584|0.078416|0.114657|0.120903|0.115690|0.196585|0.131909|0.111939|0.097943|0.092876|0.090174|0.170748|0.171491|0.212375|0.500000| |1.795756|1.623639|1.614381|1.783807|2.441939|0.046303|2.028089|2.995380|0.068476|2.024626|2.021523|2.141276|2.220475|3.569267|2.768286|4.448107|3.223792|0.079545|4.022519|5.397695|0.141924|6.036301|4.645991|4.373938|0.116900|5.295699|4.370248|22.972079|5.350505|4.829257|3.305335|8.564748|8.614568|17.709764|0.048648|0.041845|0.041576|0.054511|0.061194|0.064615|0.053943|0.059502|0.056736|0.076121|0.111450|0.104428|0.092596|0.209270|0.128013|0.129189|0.110494|0.085021|0.081372|0.211691|0.210861|0.171706|0.293125|0.500000| 1665.999946 -10405.356441 3998.303146 -197.012545 -4938.065895 3270.140641 -1667.925254 2.001156 40FB9B4000000008 443F525ACEC95EC1 43C1E5EABF4E7F4A 4298E080CB948BF7 C037FFFFFFFFFFFE 4438500AEE86BFFD