Version2.4 2021-06-07T09:54:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCCOc1ccc(cc1OC)[C@@H]2c3c([nH]nc3C(=O)N2CCCO)c4cc(ccc4[O-])Cl C39898117 RHF 6-31G(d) (6D,7F) CCCCCCOc1ccc(cc1OC)[C@@H]2c3c([nH]nc3C(=O)N2CCCO)c4cc(ccc4[O-])Cl C01[X(C27H31Cl1N3O5)] 195 C1 606 OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] CCCCCCOc1ccc(cc1OC)[C@H]2N(CCCO)C(=O)c3n[nH]c(c4cc(Cl)ccc4[O-])c23 InChIKey=AFYUGISPOQXUCX-AREMUKBSSA-M InChI=1S/C27H32ClN3O5/c1-3-4-5-6-14-36-21-11-8-17(15-22(21)35-2)26-23-24(19-16-18(28)9-10-20(19)33)29-30-25(23)27(34)31(26)12-7-13-32/h8-11,15-16,26,32-33H,3-7,12-14H2,1-2H3,(H,29,30)/p-1/t26-/m1/s1 InChI=1/C27H32ClN3O5/c1-3-4-5-6-14-36-21-11-8-17(15-22(21)35-2)26-23-24(19-16-18(28)9-10-20(19)33)29-30-25(23)27(34)31(26)12-7-13-32/h8-11,15-16,26,32-33H,3-7,12-14H2,1-2H3,(H,29,30)/p-1/t26-/m1/s1/fC27H31ClN3O5/h33h,29H/q-1 CCCCCCOc1ccc(cc1OC)[C@@H]2c3c([nH]nc3C(=O)N2CCCO)c4cc(ccc4[O-])Cl C01[X(C27H31Cl1N3O5)] 195 C01 606 OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] OCCCN1C(=O)[C]2[C]([C]([NH][N]2)[C]2[CH][C]([CH][CH][C]2[O])Cl)[C@H]1[C]1[CH][CH][C]([C]([CH]1)OC)OCCCCCC CCCCCCO[C]1[CH][CH][C]([CH][C]1OC)[C@@H]2[C]3[C](N[N][C]3C(=O)N2CCCO)[C]4[CH][C](Cl)[CH][CH][C]4[O] InChIKey=KWGARYPGMSEMMJ-AREMUKBSSA-N InChI=1S/C27H31ClN3O5/c1-3-4-5-6-14-36-21-11-8-17(15-22(21)35-2)26-23-24(19-16-18(28)9-10-20(19)33)29-30-25(23)27(34)31(26)12-7-13-32/h8-11,15-16,26,32H,3-7,12-14H2,1-2H3,(H,29,30)/t26-/m1/s1 InChI=1/C27H31ClN3O5/c1-3-4-5-6-14-36-21-11-8-17(15-22(21)35-2)26-23-24(19-16-18(28)9-10-20(19)33)29-30-25(23)27(34)31(26)12-7-13-32/h8-11,15-16,26,32H,3-7,12-14H2,1-2H3,(H,29,30)/t26-/m1/s1/f/h29H 3931.8168108869 -2037.6283527 1-A 27965.9844 136 470 606 |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|A|A|A|A|A|A|A|A| -104.71117 -20.49903 -20.48760 -20.48642 -20.42137 -20.34529 -15.53146 -15.48210 -15.48130 -11.24456 -11.20798 -11.19976 -11.19857 -11.19524 -11.18028 -11.17499 -11.17210 -11.17016 -11.16852 -11.16820 -11.16723 -11.16558 -11.15933 -11.15562 -11.15226 -11.13832 -11.13652 -11.13613 -11.13127 -11.13110 -11.12927 -11.12661 -11.11963 -11.10460 -11.10066 -11.08778 -10.44402 -7.91339 -7.91048 -7.91030 -1.33616 -1.30935 -1.29227 -1.29093 -1.27520 -1.18582 -1.16276 -1.05632 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.5789 19.8575 22.8548 26.2044 30.5472 34.8691 42.3669 55.5509 62.5729 71.3164 75.7909 81.4404 83.6587 91.5581 119.3740 125.3434 131.3865 140.4595 146.2107 152.6389 161.9270 168.9492 171.8123 181.3650 198.4238 203.4543 219.3786 250.8224 262.3808 263.9777 275.8711 286.2887 296.8436 311.5653 325.6836 333.2588 337.1511 356.1786 383.4439 392.8787 403.9668 406.8163 417.8008 446.4347 468.1793 501.0410 507.9528 519.0763 528.0382 575.5999 586.0980 599.0126 605.6043 643.1146 649.4604 661.0043 677.3675 690.1831 692.5375 742.4388 765.2728 783.8759 787.3328 802.8939 804.7407 811.1354 822.7029 833.6184 851.9578 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3194.3166 3195.8909 3204.7049 3211.7969 3214.3791 3214.7614 3227.0296 3227.7931 3234.9490 3255.4554 3256.7600 3260.6495 3266.6324 3283.8142 3285.8348 3290.8475 3311.8989 3347.3124 3355.2720 3369.3700 3377.1758 3397.1289 3410.0466 3924.7627 4115.2516 5.6281 5.3119 6.5975 6.1286 5.8019 3.8681 1.7892 5.2909 3.9027 2.3707 3.7211 4.0108 6.6675 4.1987 1.9894 3.6790 2.9510 3.5548 9.6498 4.1243 8.8619 2.2612 2.9237 6.0323 4.6710 4.3959 2.1794 4.9285 3.6168 1.1256 5.2244 1.1388 1.9377 6.1507 5.5934 4.1246 4.4747 4.5694 6.2369 6.9132 4.8801 8.7198 6.9765 6.2867 3.9434 3.3063 4.0434 3.8135 3.4718 2.3817 5.7687 5.2565 1.8203 6.2059 4.5743 6.3149 7.3066 5.3227 7.9968 3.8589 5.4126 1.0653 3.1980 6.5897 2.4944 1.1035 2.0356 2.3191 4.8672 6.7495 1.2110 5.2038 2.2460 2.8137 3.1229 1.3864 2.8069 1.9688 1.1883 3.8271 1.3745 2.8460 1.7676 1.3644 1.3510 3.5419 4.8904 1.1221 2.6550 2.7327 3.5523 2.3378 2.2223 4.5163 4.4526 2.6331 3.0164 3.6870 3.2771 2.9968 2.1975 2.7610 2.2907 2.5733 2.0174 1.2773 2.8226 1.7144 1.8490 2.3126 1.6535 1.9109 1.2970 1.4325 1.3933 1.8057 2.9943 1.6946 1.2529 3.2440 1.0942 1.0758 1.4190 1.3716 2.1750 1.1215 1.6146 1.0817 1.8037 1.5916 2.6389 1.4114 2.5575 1.4189 1.3572 1.5130 2.6099 3.1578 2.0531 1.7200 1.4416 3.1930 1.0706 1.0836 1.2977 1.2450 1.0810 1.0422 1.1238 1.0956 1.0501 1.0973 1.0739 1.1700 1.1280 5.4291 5.5107 3.8463 3.4290 5.7950 6.4329 5.5140 6.8508 12.0815 1.0562 1.0585 1.0582 1.0586 1.1076 1.0604 1.1006 1.0403 1.1042 1.0950 1.0714 1.0332 1.0624 1.1062 1.0620 1.1025 1.1049 1.1057 1.1029 1.0883 1.1034 1.1049 1.1073 1.0876 1.0914 1.0961 1.0885 1.0940 1.0930 1.0816 1.0669 0.0002 0.0012 0.0020 0.0025 0.0032 0.0028 0.0019 0.0096 0.0090 0.0071 0.0126 0.0157 0.0275 0.0207 0.0167 0.0341 0.0300 0.0413 0.1215 0.0566 0.1369 0.0380 0.0508 0.1169 0.1084 0.1072 0.0618 0.1827 0.1467 0.0462 0.2343 0.0550 0.1006 0.3518 0.3496 0.2699 0.2997 0.3415 0.5403 0.6287 0.4692 0.8503 0.7175 0.7382 0.5093 0.4890 0.6147 0.6054 0.5703 0.4649 1.1675 1.1113 0.3934 1.5123 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 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 19813.4007 33946.7255 46199.3670 0.99982 -0.01606 0.01055 0.01604 0.99987 0.00163 -0.01057 -0.00146 0.99994 1 0.00437 0.00255 0.00187 0.09109 0.05316 0.03906 10.90 28.57 32.88 37.70 43.95 50.17 60.96 79.93 90.03 102.61 109.05 117.17 120.37 131.73 171.75 180.34 189.04 202.09 210.36 219.61 232.98 243.08 247.20 260.94 285.49 292.73 315.64 360.88 377.51 379.81 396.92 411.91 427.09 448.27 468.59 479.49 485.09 512.46 551.69 565.26 581.22 585.32 601.12 642.32 673.61 720.89 730.83 746.84 759.73 828.16 843.26 861.85 871.33 925.30 934.43 951.04 974.58 993.02 996.41 1068.20 1101.06 1127.82 1132.80 1155.19 1157.84 1167.04 1183.69 1199.39 1225.78 1245.09 1266.98 1275.22 1303.97 1329.78 1332.01 1360.77 1364.38 1389.22 1418.83 1472.22 1485.84 1504.17 1507.41 1545.25 1548.06 1554.39 1565.70 1578.99 1584.97 1616.00 1617.17 1635.55 1663.08 1681.53 1686.34 1703.14 1708.74 1717.97 1728.56 1761.85 1779.70 1789.75 1797.36 1829.55 1839.22 1859.54 1873.80 1882.18 1899.24 1916.26 1922.58 1928.84 1939.10 1940.38 1979.81 1984.50 1994.89 2006.51 2022.84 2044.41 2075.51 2076.88 2083.61 2085.99 2090.66 2092.90 2094.93 2101.63 2119.93 2149.60 2172.53 2192.69 2220.85 2248.56 2248.68 2253.99 2273.05 2281.65 2291.52 2292.87 2325.29 2343.94 2351.07 2353.65 2359.76 2360.26 2361.41 2365.63 2372.46 2374.98 2376.31 2385.24 2388.85 2416.48 2420.71 2422.44 2435.30 2447.79 2462.17 2559.51 2574.31 2615.41 2619.80 2823.67 4549.43 4565.52 4576.20 4578.03 4583.72 4589.12 4595.91 4598.17 4610.86 4621.06 4624.77 4625.32 4642.98 4644.07 4654.37 4683.87 4685.75 4691.35 4699.96 4724.68 4727.58 4734.80 4765.08 4816.04 4827.49 4847.77 4859.00 4887.71 4906.30 5646.86 5920.93 0.588243 0.621965 0.622910 0.517002 -2037.040109 -2037.006387 -2037.005443 -2037.111351 3.552172D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCCCOc1ccc(cc1OC)[C@@H]2c3c([nH]nc3C(=O)N2CCCO)c4cc(ccc4[O-])Cl C39898117 RHF 6-31G(d) (6D,10F) C1 512.195224 |X|Y|Z| 92.994190 130.658323 47.395535 83.197468 20 6 7 17 3 |36.858105| |12.463697|36.858105| |7.468626|12.454000|36.858105| |4.858146|7.452530|12.453548|36.858105| |3.734224|4.857636|7.468216|12.456050|36.858105| |2.966826|3.740389|4.877937|7.509233|12.537892|36.858105| |2.555105|3.050463|3.883732|5.105234|8.091502|13.646179|73.516695| |2.182904|2.556591|3.081981|3.887517|5.228250|8.008834|24.980713|36.858105| |2.068480|2.436933|2.832426|3.601262|4.403863|6.719960|13.986577|13.838608|36.858105| |1.797767|2.072599|2.346298|2.853675|3.335027|4.504853|9.200310|7.904830|13.651577|36.858105| |1.662960|1.882703|2.134221|2.517672|2.969188|3.780828|8.158618|6.809285|7.918918|13.849852|36.858105| |1.722202|1.937962|2.238130|2.613503|3.195168|3.983244|9.378848|7.913824|6.907889|7.977802|13.621838|36.858105| |1.951170|2.219833|2.639325|3.138622|4.073933|5.240033|14.449061|13.554242|7.945484|6.870296|7.881948|13.833505|36.858105| |1.997291|2.237993|2.702175|3.106972|4.118875|4.779371|13.050688|8.150731|5.293995|4.622118|5.179058|7.901337|14.105288|73.516695| |1.779872|1.952054|2.303672|2.558202|3.213359|3.546735|8.493542|5.255606|4.003138|3.817106|4.535645|6.792734|8.049231|24.173552|36.858105| |1.469387|1.640733|1.824402|2.101530|2.399363|2.909810|5.966702|4.405772|4.978560|7.479019|12.475516|7.572295|5.017450|6.874482|3.715319|36.858105| |1.412422|1.563809|1.740622|1.979008|2.265899|2.686885|5.570677|3.994624|4.225105|5.672829|8.917452|7.256109|4.783423|6.881188|3.900830|17.622174|0.500000| |1.402202|1.557565|1.717334|1.959905|2.205774|2.623987|5.256543|3.714610|4.129736|5.640767|7.464890|5.620856|4.133573|5.978645|3.320693|12.688146|0.248031|36.858105| |1.368148|1.509376|1.662329|1.875722|2.105975|2.452362|4.900102|3.345471|3.549040|4.407110|5.466267|4.810386|3.761700|5.712268|3.276755|6.960347|0.168548|13.887210|36.858105| |1.295094|1.424833|1.548798|1.738390|1.911892|2.202830|4.268009|2.832318|3.067612|3.725689|4.220036|3.664709|3.040841|4.706549|2.665203|5.227497|0.127170|8.886095|13.991523|53.358707| |1.246593|1.363737|1.475471|1.641357|1.792585|2.034695|3.910534|2.538024|2.703586|3.164953|3.508121|3.168731|2.712328|4.303959|2.460961|4.133508|0.104515|6.128774|9.070587|26.117633|0.500000| |1.275464|1.407612|1.519216|1.712551|1.863534|2.161030|4.120364|2.737992|3.068971|3.821549|4.155603|3.426084|2.858225|4.369237|2.424530|5.348695|0.125854|8.444535|8.350733|19.405235|0.263216|53.358707| |1.336570|1.483619|1.612877|1.836038|2.019731|2.384823|4.607719|3.155769|3.624760|4.835304|5.454413|4.154120|3.316304|4.909786|2.690697|8.028576|0.171163|13.704822|8.680851|12.644430|0.177119|19.932815|36.858105| |1.340841|1.493273|1.616980|1.849228|2.020888|2.402378|4.587415|3.143641|3.729022|5.104311|5.427152|3.972980|3.216741|4.724043|2.540295|7.904022|0.169993|8.112259|5.400233|7.348141|0.119011|10.039373|12.864718|36.858105| |1.284715|1.427318|1.528617|1.738949|1.868999|2.195483|4.100534|2.731891|3.228962|4.160500|4.169971|3.229922|2.734173|4.106829|2.204830|5.355418|0.126221|5.411540|4.131872|5.927367|0.101837|8.095082|7.808713|15.853429|73.516695| |1.415589|1.582301|1.733975|1.997261|2.223659|2.684604|5.262531|3.734938|4.459258|6.577665|7.638071|5.093279|3.904957|5.546178|2.949204|12.904300|0.250746|8.347083|5.216977|6.279849|0.103494|7.325194|8.481465|13.932973|14.829786|53.358707| |1.410474|1.575497|1.720517|1.977382|2.186969|2.622223|5.080160|3.518633|4.160757|5.635547|5.979811|4.427082|3.597400|5.220013|2.749949|7.441924|0.187380|5.177200|3.774112|4.663026|0.080921|5.288400|5.239094|7.781821|11.994181|17.968677|36.858105| |1.287543|1.420099|1.542521|1.739216|1.912439|2.223576|4.311518|2.880323|3.203296|3.991422|4.435800|3.677352|3.035662|4.623419|2.525299|5.624920|0.166144|4.312323|3.341908|4.183132|0.074268|4.668207|4.355558|5.849365|9.772706|10.433132|12.443968|36.858105| |1.269096|1.395279|1.507111|1.688567|1.838847|2.109518|4.030991|2.616080|2.869905|3.370994|3.560302|3.105649|2.700714|4.213983|2.285693|4.038095|0.118047|3.243527|2.654710|3.367838|0.061294|3.695226|3.267983|4.138065|7.357802|6.791012|7.550383|12.548016|36.858105| |1.170586|1.274677|1.370918|1.515509|1.642971|1.849353|3.531650|2.249308|2.404501|2.756531|2.955804|2.680009|2.353747|3.774121|2.093104|3.369275|0.101321|2.840377|2.404889|3.079663|0.056907|3.338250|2.858598|3.442044|6.167241|5.332603|5.088296|8.011327|13.541519|73.516695| |1.379793|1.511933|1.677037|1.871982|2.123774|2.425570|4.929369|3.287721|3.282775|3.804038|4.708878|4.743474|3.845196|6.140068|3.701101|5.238653|0.139803|7.261581|12.983827|10.495744|0.192700|7.096410|5.212787|3.865782|5.600276|5.361216|3.100735|2.829776|2.333859|3.827681|36.858105| |1.370170|1.494589|1.649415|1.825181|2.048474|2.298073|4.576306|2.943289|2.919098|3.230846|3.717511|3.778920|3.314580|5.474343|3.268635|3.896470|0.102844|5.057963|7.704180|8.803004|0.189233|6.096465|4.163711|3.198032|4.831913|4.307156|2.582738|2.366259|2.007095|3.317796|13.687846|36.858105| |1.354318|1.463647|1.618189|1.764859|1.982955|2.172306|4.333023|2.703045|2.597916|2.772085|3.148740|3.352136|3.065487|5.318896|3.280157|3.197734|0.087124|3.818499|5.086867|6.046063|0.130821|4.622216|3.226819|2.626284|4.063073|3.600231|2.241183|2.089256|1.810356|3.027083|7.896525|13.860413|36.858105| |1.348193|1.449785|1.613639|1.748287|1.985835|2.155807|4.379616|2.717892|2.541971|2.689646|3.125971|3.486705|3.191423|5.744759|3.756201|3.152105|0.089179|3.571064|4.477276|5.107602|0.106118|4.077077|2.957500|2.482417|3.841626|3.499678|2.219237|2.101343|1.831961|3.086197|6.831120|7.959410|13.656258|36.858105| |1.358343|1.466432|1.640694|1.790131|2.055598|2.260367|4.687811|2.980930|2.767766|2.987229|3.638637|4.193491|3.656329|6.540232|4.475548|3.730224|0.109653|4.121101|5.041061|5.361409|0.106367|4.321565|3.256715|2.747262|4.179950|3.982401|2.513551|2.397060|2.063758|3.473013|7.864223|6.899882|7.957323|13.938119|36.858105| |1.375178|1.498964|1.675180|1.856385|2.133610|2.411272|5.023043|3.335933|3.189938|3.623323|4.684670|5.223555|4.142649|6.883402|4.478418|5.104640|0.151235|5.927263|7.599193|7.015621|0.130830|5.475301|4.269351|3.461053|5.075850|5.083828|3.067164|2.883139|2.398046|3.976706|13.226643|7.723220|6.676082|7.723099|13.241734|36.858105| |1.367807|1.492892|1.670575|1.856787|2.142266|2.438641|5.131417|3.469046|3.324767|3.870008|5.303547|6.007817|4.429097|7.223948|4.739213|6.113079|0.205097|6.274976|6.676764|6.306102|0.113623|5.309656|4.403971|3.743767|5.421278|5.799213|3.529419|3.383585|2.761643|4.573621|8.044746|5.267079|4.647329|5.296397|8.109998|15.289838|73.516695| |1.318034|1.413170|1.546045|1.664246|1.835509|1.969158|3.821553|2.308886|2.231870|2.322093|2.522587|2.641015|2.515948|4.427189|2.659177|2.524799|0.068169|2.937869|3.666990|4.770484|0.106649|3.852710|2.634553|2.205744|3.509808|2.974607|1.893923|1.770932|1.564260|2.629263|4.718750|6.976850|10.793459|6.943369|4.742278|4.124915|5.775576|448.794386| |17.534326|8.774401|6.768373|4.492413|3.622349|2.870211|4.470269|2.148709|2.018557|1.760654|1.641034|1.710401|1.939678|3.563040|1.798037|1.452162|0.038821|1.394760|1.371269|1.765881|0.034809|1.728710|1.325140|1.319215|2.239942|1.891483|1.374860|1.257389|1.232679|2.026864|1.393175|1.392607|1.385580|1.379623|1.381485|1.388608|2.440971|10.898503|0.500000| |17.540144|8.765413|5.450826|4.033204|3.162754|2.624631|4.045969|1.983388|1.906879|1.676565|1.550227|1.591574|1.780802|3.214158|1.624397|1.382168|0.036884|1.324184|1.292306|1.675944|0.032996|1.656862|1.271082|1.277726|2.188629|1.825199|1.338134|1.224958|1.210426|1.989559|1.298097|1.291395|1.274351|1.264174|1.271244|1.288875|2.278388|9.999885|0.301597|0.500000| |17.532797|8.773643|6.767833|4.492131|3.622018|2.869919|4.470322|2.145521|2.017300|1.757983|1.636816|1.704736|1.933415|3.548113|1.783860|1.447792|0.038881|1.373124|1.336116|1.715632|0.033658|1.689910|1.305402|1.313940|2.237580|1.897483|1.397533|1.282378|1.270747|2.088893|1.349208|1.332988|1.319995|1.323087|1.339911|1.354757|2.408307|10.260617|0.301750|0.301579|0.500000| |8.861500|17.507141|8.857018|6.853022|4.529798|3.655962|5.266705|2.515740|2.436765|2.077729|1.873989|1.910519|2.172449|3.847950|1.885954|1.637109|0.043322|1.543932|1.483854|1.910625|0.037210|1.901699|1.478647|1.502783|2.567175|2.170325|1.602940|1.443878|1.429285|2.315733|1.473897|1.447305|1.408788|1.395570|1.419829|1.461406|2.604660|10.860482|0.172955|0.212670|0.210669|0.500000| |8.862072|17.509283|8.858085|6.853549|4.530354|3.656457|5.266546|2.520807|2.438907|2.082067|1.880253|1.918426|2.181263|3.866864|1.902609|1.643365|0.043239|1.574626|1.532064|1.980205|0.038771|1.957048|1.507277|1.510604|2.570670|2.161391|1.569205|1.408716|1.376103|2.232626|1.531304|1.523931|1.488716|1.461875|1.469194|1.503824|2.645800|11.619402|0.210701|0.212678|0.172954|0.303992|0.500000| |6.873019|8.860167|17.500666|8.859704|6.873785|4.550466|6.746471|3.016503|2.729154|2.279527|2.100860|2.227291|2.633017|4.878578|2.361259|1.800508|0.047813|1.711375|1.675230|2.121470|0.041434|2.062798|1.599159|1.585490|2.653250|2.306061|1.663954|1.497094|1.452318|2.359092|1.709057|1.696360|1.679566|1.675936|1.690001|1.707837|3.001465|12.982152|0.203901|0.140401|0.169125|0.173726|0.211740|0.500000| |6.873169|8.859665|17.497828|8.858155|6.872085|4.549432|6.746859|3.007818|2.726097|2.273793|2.092112|2.214943|2.617575|4.840871|2.329701|1.792269|0.047924|1.672150|1.612748|2.036525|0.039544|1.998241|1.565058|1.576424|2.649354|2.316887|1.704320|1.539495|1.515251|2.457786|1.630302|1.592486|1.567192|1.578082|1.616056|1.646446|2.941801|11.948063|0.169143|0.140399|0.203895|0.211695|0.173730|0.303923|0.500000| |4.534187|6.861229|8.863928|17.491318|8.843221|6.890793|8.395990|3.748400|3.600936|2.867189|2.496958|2.547327|3.008811|5.188799|2.414526|2.093924|0.054736|1.932918|1.827353|2.314456|0.044435|2.305463|1.826619|1.867386|3.145702|2.752211|2.032524|1.783490|1.749947|2.778892|1.801131|1.740931|1.670960|1.655465|1.707194|1.786370|3.207297|12.587610|0.111258|0.108545|0.119624|0.207050|0.171108|0.173770|0.211809|0.500000| |4.534392|6.861680|8.864602|17.494971|8.845622|6.893163|8.394534|3.764972|3.607663|2.878513|2.511744|2.566056|3.032197|5.235179|2.449682|2.107007|0.054567|1.994188|1.919776|2.441484|0.047169|2.406210|1.881438|1.882428|3.152088|2.733975|1.964930|1.718372|1.654840|2.638402|1.909091|1.879387|1.809305|1.769563|1.795098|1.865576|3.285021|13.815425|0.119634|0.108550|0.111257|0.171114|0.207073|0.211850|0.173763|0.303740|0.500000| |3.639306|4.514850|6.823830|8.818725|17.541756|8.949925|13.183653|4.949164|4.058150|3.160678|2.889473|3.173529|4.066131|7.621832|3.384138|2.351278|0.061904|2.198034|2.136896|2.632573|0.050693|2.531856|1.996958|1.964188|3.212744|2.921193|2.078218|1.830983|1.744535|2.792995|2.194529|2.144672|2.102923|2.109173|2.159164|2.206888|3.883756|15.741212|0.102453|0.085288|0.097037|0.111625|0.120034|0.205920|0.170420|0.173212|0.210921|0.500000| |3.639329|4.514892|6.824346|8.819476|17.536607|8.945957|13.191092|4.911915|4.048625|3.145707|2.867042|3.138363|4.010405|7.481261|3.293351|2.333138|0.062151|2.116752|2.011511|2.475214|0.047343|2.415202|1.931730|1.947100|3.205955|2.943474|2.158722|1.910418|1.857119|2.961394|2.034752|1.945323|1.893808|1.923292|2.010936|2.078943|3.757082|13.991705|0.097045|0.085287|0.102446|0.120020|0.111635|0.170460|0.205896|0.210898|0.173241|0.303594|0.500000| |2.877883|3.641120|4.527784|6.847612|8.843629|17.505635|16.535718|7.044026|6.781490|4.586816|3.732210|3.782009|4.728708|7.451882|3.204687|2.901758|0.074349|2.568719|2.353761|2.901834|0.054466|2.897156|2.370850|2.449753|4.023954|3.751057|2.765581|2.326172|2.240023|3.454814|2.283287|2.141028|2.007964|1.992932|2.105463|2.270311|4.143450|14.591144|0.075592|0.071672|0.078076|0.103347|0.097819|0.111946|0.120458|0.206337|0.170535|0.174237|0.213035|0.500000| |2.875988|3.637643|4.523449|6.835225|8.836669|17.515733|16.550544|7.167783|6.833550|4.637341|3.785622|3.848436|4.827861|7.600997|3.292012|2.939000|0.073971|2.720886|2.565270|3.168695|0.059824|3.108143|2.496720|2.485202|4.038525|3.706615|2.601951|2.186740|2.049482|3.194448|2.520012|2.419944|2.266246|2.205230|2.280441|2.443126|4.319624|16.636003|0.078041|0.071625|0.075542|0.097706|0.103254|0.120405|0.111845|0.170165|0.205945|0.213123|0.174141|0.301285|0.500000| |2.204876|2.650443|3.050149|4.016738|4.697292|7.480921|12.545044|8.939266|17.749393|8.936226|5.658146|4.972810|5.639442|7.583852|3.335597|4.072885|0.097320|3.533418|3.093985|3.782245|0.068987|3.848512|3.261865|3.409897|5.445767|5.308393|3.745993|2.918529|2.681200|4.007350|2.854405|2.608763|2.340973|2.268375|2.421481|2.737240|5.006872|16.580778|0.059195|0.056624|0.059258|0.074418|0.074294|0.080141|0.080294|0.114415|0.113957|0.115761|0.116241|0.230099|0.226446|0.500000| |1.720596|1.981256|2.198110|2.656277|2.984787|3.915440|7.442699|5.648759|8.923998|17.735419|8.937497|5.652990|4.952211|6.519229|3.150716|6.885913|0.142572|5.537969|4.236231|5.154479|0.088947|5.591070|5.285072|6.028873|8.883558|10.046434|6.265443|4.190334|3.515598|5.033105|3.506386|3.025698|2.574305|2.458845|2.689669|3.247080|6.108589|17.620207|0.046631|0.044968|0.046582|0.055588|0.055670|0.058999|0.058900|0.075138|0.075338|0.078166|0.077941|0.113775|0.114531|0.217320|0.500000| |1.602086|1.777928|2.037767|2.323804|2.797043|3.323058|7.562026|5.623291|4.974506|5.691248|8.970193|17.761667|8.915516|12.562659|7.567183|7.162331|0.221717|5.612148|5.030349|5.067369|0.090143|4.612164|4.039991|3.762985|5.451383|6.422941|4.095586|3.624468|3.037187|4.788908|5.266582|4.023145|3.623465|3.936814|5.068382|6.538205|14.896663|22.186961|0.044399|0.041245|0.044206|0.048565|0.048818|0.056740|0.056343|0.062745|0.063292|0.078253|0.077227|0.087671|0.089274|0.107939|0.124748|0.500000| |1.666009|1.819215|2.119667|2.343937|2.880856|3.189816|7.397520|4.690161|3.759914|3.727469|4.573403|6.771542|6.977900|16.414781|17.560433|3.886795|0.118789|3.360054|3.238407|3.580702|0.067092|3.293756|2.718620|2.606498|4.018694|4.192114|2.922466|2.742742|2.485692|4.069823|3.579615|3.074870|3.046198|3.509457|4.333393|4.467903|9.069190|19.742075|0.046448|0.042484|0.046620|0.049307|0.049105|0.059631|0.059996|0.062545|0.062131|0.082129|0.083098|0.082812|0.081917|0.087255|0.086340|0.230449|0.500000| |1.698009|1.859614|2.168792|2.407520|2.961494|3.292269|7.610345|4.844563|3.873991|3.823916|4.658122|6.844494|7.167632|16.421074|17.589296|3.924365|0.113611|3.668341|3.770009|4.071532|0.076927|3.600443|2.903733|2.655171|4.053930|4.130642|2.738900|2.510581|2.229378|3.641329|4.512293|3.960857|4.028230|4.759073|5.857503|5.683458|10.073989|25.069059|0.047866|0.043282|0.046899|0.049756|0.050906|0.062154|0.060096|0.062896|0.065268|0.087560|0.082070|0.082308|0.087979|0.089735|0.088349|0.226045|0.300020|0.500000| |1.817512|1.970196|2.337251|2.535589|3.178798|3.338960|7.742023|4.411080|3.420866|3.198322|3.628051|4.935553|5.895108|17.008938|17.618748|3.068394|0.088969|2.807889|2.810164|3.200513|0.061260|2.923329|2.342220|2.221100|3.485219|3.440710|2.390355|2.224682|2.050462|3.378208|3.180169|2.917989|3.016877|3.477864|3.967210|3.764134|6.882716|20.331640|0.051351|0.045876|0.050868|0.052493|0.053020|0.067314|0.066247|0.065848|0.066896|0.094817|0.091908|0.083266|0.085503|0.082096|0.075341|0.147324|0.299810|0.299203|0.500000| |1.507165|1.692666|1.867172|2.164950|2.428951|2.956785|5.819680|4.113537|4.879562|6.558560|6.842140|5.101394|4.179302|5.928229|3.046262|7.140387|0.184335|4.724620|3.552031|4.272870|0.074955|4.649157|4.450486|5.805379|8.938956|12.615189|17.571333|8.817808|6.908697|8.366270|3.030166|2.534417|2.228530|2.231808|2.540087|3.064845|6.311226|15.111754|0.040692|0.039514|0.041620|0.047934|0.046541|0.049913|0.051644|0.062092|0.059145|0.063463|0.067148|0.087736|0.079942|0.119111|0.188417|0.126178|0.090538|0.082402|0.072927|0.500000| |1.405782|1.574553|1.702399|1.960610|2.130762|2.550391|4.795959|3.246971|3.932498|5.124673|4.912645|3.732136|3.187679|4.685452|2.443382|5.631237|0.138290|4.421195|3.360313|4.325878|0.076088|5.032810|4.796568|7.373860|13.384866|12.637019|17.590048|8.849186|6.898418|8.368734|2.771613|2.374155|2.067566|2.023792|2.246048|2.685017|5.318240|14.300989|0.037915|0.037222|0.038589|0.044758|0.043722|0.045488|0.046658|0.056472|0.054430|0.055868|0.058084|0.075702|0.070969|0.103024|0.171037|0.094877|0.070969|0.067565|0.059927|0.302646|0.500000| |1.217562|1.337946|1.442853|1.617777|1.761542|2.030356|3.892459|2.567607|2.856015|3.525867|3.862937|3.223573|2.690252|4.148580|2.287150|5.018790|0.144439|4.227803|3.329426|4.320034|0.077017|4.966212|4.553572|6.253692|11.259812|9.467625|8.858664|17.571212|8.926106|12.974956|2.775491|2.339873|2.055191|2.046397|2.310112|2.772508|5.671837|14.074097|0.033094|0.032302|0.033596|0.037734|0.037032|0.039020|0.039844|0.045956|0.044702|0.047117|0.048593|0.058622|0.056083|0.073320|0.104959|0.089152|0.068214|0.064027|0.056477|0.173534|0.213119|0.500000| |1.279424|1.405437|1.536072|1.723102|1.914844|2.212529|4.372482|2.929295|3.153231|3.891305|4.606680|3.983703|3.204790|4.931877|2.757541|6.005976|0.200710|4.499779|3.522950|4.275513|0.075988|4.604586|4.261657|5.213164|8.215499|9.454534|8.812510|17.549646|8.933967|13.022244|3.041178|2.496288|2.215969|2.265778|2.639288|3.205043|6.953005|14.858960|0.034837|0.033708|0.035477|0.039498|0.038625|0.041632|0.042731|0.048716|0.047104|0.051311|0.053416|0.063514|0.060061|0.078237|0.108237|0.113611|0.085022|0.076227|0.066930|0.210290|0.173387|0.302512|0.500000| |1.336835|1.472990|1.600897|1.798343|1.973053|2.268265|4.364668|2.829091|3.068151|3.529205|3.709543|3.308015|2.918077|4.556869|2.446335|3.977657|0.117107|3.115790|2.569260|3.205682|0.058478|3.448046|3.039459|3.726049|6.428955|6.317884|6.902990|8.855032|17.480396|16.464373|2.300192|1.981520|1.801753|1.837585|2.077048|2.394805|4.924112|12.492271|0.035975|0.035293|0.037332|0.042012|0.040118|0.042679|0.044982|0.051990|0.048519|0.051637|0.055885|0.067483|0.060337|0.079229|0.099611|0.088983|0.074531|0.065151|0.060900|0.207700|0.170639|0.174076|0.212975|0.500000| |1.265411|1.394238|1.494372|1.677303|1.804006|2.069886|3.880814|2.495068|2.786962|3.243373|3.281441|2.828857|2.510066|3.912797|2.097836|3.642791|0.101958|3.019016|2.489973|3.223298|0.058931|3.591406|3.138734|4.053056|7.608775|6.313571|6.907760|8.861691|17.485398|16.461479|2.177486|1.899623|1.711333|1.713870|1.903917|2.196285|4.398289|12.010014|0.034031|0.033655|0.035121|0.039861|0.038298|0.039833|0.041600|0.048605|0.045847|0.047308|0.050358|0.061590|0.056222|0.073991|0.096838|0.075586|0.062365|0.056981|0.052660|0.171481|0.207451|0.213379|0.174200|0.301267|0.500000| |1.154519|1.253965|1.343688|1.478877|1.593967|1.780146|3.373162|2.119239|2.253196|2.528947|2.663921|2.449191|2.196261|3.558064|1.965912|2.942202|0.087358|2.511183|2.159535|2.778092|0.051764|2.993592|2.525446|2.994675|5.415056|4.575449|4.285619|5.935597|9.834161|35.792520|1.956715|1.716463|1.578820|1.611166|1.799800|2.032414|4.109048|11.110388|0.031159|0.030713|0.032276|0.035715|0.034230|0.036023|0.037766|0.042551|0.040100|0.042202|0.045090|0.052216|0.047853|0.059295|0.072027|0.068008|0.059532|0.053087|0.050038|0.114232|0.114154|0.151989|0.152374|0.229773|0.229551|0.500000| |1.363106|1.490116|1.631503|1.809258|2.003733|2.251447|4.386791|2.801854|2.849247|3.151327|3.481834|3.402588|3.038799|4.958163|2.868620|3.647002|0.093576|4.818058|7.119446|9.653145|0.225596|6.601089|4.253436|3.224432|4.936313|4.199012|2.511606|2.279195|1.940181|3.196552|8.900477|17.698602|9.005344|5.663028|4.965043|5.539777|7.526920|53.747343|0.038467|0.035825|0.036657|0.040108|0.042494|0.046552|0.043466|0.048005|0.052267|0.058100|0.052403|0.058464|0.066826|0.072058|0.084032|0.096999|0.074964|0.093538|0.071915|0.067841|0.065257|0.063213|0.065622|0.052911|0.051600|0.046052|0.500000| |1.322682|1.410936|1.567817|1.678240|1.897865|2.023077|4.079671|2.472268|2.292150|2.380019|2.711027|3.035586|2.866842|5.309540|3.496598|2.701445|0.076785|2.976503|3.573617|4.234583|0.088609|3.495131|2.534171|2.179071|3.425016|3.071597|1.988348|1.898726|1.680986|2.852408|4.929034|5.660499|8.896192|17.701356|8.972118|5.541662|7.577868|53.255324|0.037763|0.034454|0.036115|0.037601|0.039456|0.045479|0.042701|0.044002|0.047061|0.056335|0.051293|0.051881|0.057195|0.057469|0.060697|0.094076|0.090514|0.119635|0.093541|0.055787|0.050732|0.051360|0.056706|0.046998|0.043800|0.041642|0.124620|0.500000| |1.338928|1.437579|1.611572|1.744509|2.008630|2.182515|4.549029|2.851537|2.606473|2.775466|3.368448|3.979049|3.535406|6.572324|4.743133|3.420705|0.103540|3.584330|4.103469|4.500361|0.088916|3.780849|2.889975|2.522378|3.881994|3.709804|2.406285|2.335543|2.038722|3.465273|5.615199|4.964809|5.647920|8.969311|17.701912|8.868438|13.120572|31.418386|0.037820|0.034763|0.036892|0.038693|0.039759|0.046092|0.044453|0.046289|0.048148|0.058530|0.055278|0.056681|0.060271|0.063510|0.069249|0.136508|0.132025|0.168462|0.119384|0.068188|0.059562|0.062077|0.072196|0.057426|0.051904|0.050078|0.107708|0.215798|0.500000| 2035.643214 -12678.667755 4914.148570 -240.569562 -5969.445534 3931.817094 -2037.628440 2.000975 409200000000000A 4552383C598BD480 44D136115588D04C 419899DBFFFFFFFE B7D5C72F9A248A00 43258C11CBC7392F