Version2.0 2020-02-29T10:35:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)NC(=O)N2Cc3c4c(sc3-n5cccc5[C@H]2c6ccc(cc6)OC)C[NH+](CC4)C C35426986 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)NC(=O)N2Cc3c4c(sc3-n5cccc5[C@H]2c6ccc(cc6)OC)C[NH+](CC4)C C01[X(C29H31N4O2S1)] 195 C1 606 COc1ccc(cc1)[C@H]1N(Cc2c(n3c1ccc3)sc1c2CC[NH+](C1)C)C(=O)Nc1cccc(c1)C COc1ccc(cc1)[C@H]1N(Cc2c(n3c1ccc3)sc1c2CC[NH+](C1)C)C(=O)Nc1cccc(c1)C COc1ccc(cc1)[C@H]2N(Cc3c4CC[NH+](C)Cc4sc3n5cccc25)C(=O)Nc6cccc(C)c6 InChIKey=RKUVSUFFHRCAIG-HHHXNRCGSA-O InChI=1S/C29H30N4O2S/c1-19-6-4-7-21(16-19)30-29(34)33-17-24-23-13-15-31(2)18-26(23)36-28(24)32-14-5-8-25(32)27(33)20-9-11-22(35-3)12-10-20/h4-12,14,16,27H,13,15,17-18H2,1-3H3,(H,30,34)/p+1/t27-/m1/s1 InChI=1/C29H30N4O2S/c1-19-6-4-7-21(16-19)30-29(34)33-17-24-23-13-15-31(2)18-26(23)36-28(24)32-14-5-8-25(32)27(33)20-9-11-22(35-3)12-10-20/h4-12,14,16,27H,13,15,17-18H2,1-3H3,(H,30,34)/p+1/t27-/m1/s1/fC29H31N4O2S/h30-31H/q+1 Cc1cccc(c1)NC(=O)N2Cc3c4c(sc3-n5cccc5[C@H]2c6ccc(cc6)OC)C[NH+](CC4)C C01[X(C29H31N4O2S1)] 195 C01 606 COc1ccc(cc1)[C@H]1N(Cc2c(n3c1ccc3)sc1c2CC[NH+](C1)C)C(=O)Nc1cccc(c1)C COc1ccc(cc1)[C@H]1N(Cc2c(n3c1ccc3)sc1c2CC[NH](C1)C)C(=O)Nc1cccc(c1)C COc1ccc(cc1)[C@H]2N(Cc3c4CC[NH](C)Cc4sc3n5cccc25)C(=O)Nc6cccc(C)c6 InChIKey=GWJIPYUYPXDZFV-HHHXNRCGSA-N InChI=1S/C29H31N4O2S/c1-19-6-4-7-21(16-19)30-29(34)33-17-24-23-13-15-31(2)18-26(23)36-28(24)32-14-5-8-25(32)27(33)20-9-11-22(35-3)12-10-20/h4-12,14,16,27,31H,13,15,17-18H2,1-3H3,(H,30,34)/t27-/m1/s1 InChI=1/C29H31N4O2S/c1-19-6-4-7-21(16-19)30-29(34)33-17-24-23-13-15-31(2)18-26(23)36-28(24)32-14-5-8-25(32)27(33)20-9-11-22(35-3)12-10-20/h4-12,14,16,27,31H,13,15,17-18H2,1-3H3,(H,30,34)/t27-/m1/s1/f/h30H 4100.7511551175 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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| 13.7943 15.5315 18.8454 21.1384 33.9268 38.5995 50.8271 58.8233 70.3283 79.4249 84.1521 94.0757 101.5586 111.6794 147.6877 166.3614 184.3903 189.2914 208.0945 217.7254 228.2104 238.2248 244.5581 255.5512 265.4918 285.6266 292.2271 302.4801 310.3590 323.8722 335.6925 355.9224 371.5728 381.6843 410.2991 420.6186 456.9924 464.1925 467.4543 485.8170 492.5308 505.0809 509.5437 516.7027 533.5837 557.4864 564.1277 583.2216 609.7718 624.3660 628.6828 652.3034 662.7601 673.8159 693.9355 702.6529 732.7875 753.3576 767.7255 774.1389 784.2360 819.4674 825.2720 842.4098 857.0934 859.3199 865.4039 887.9153 913.4850 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3262.1966 3262.6902 3271.2228 3277.9382 3280.7302 3286.8581 3292.7492 3305.6860 3317.2868 3331.6214 3334.9546 3339.7812 3361.8476 3363.3326 3366.5895 3376.1526 3379.5135 3381.3949 3404.9561 3407.2182 3429.3676 3437.8805 3440.3752 3459.0801 3687.3870 3886.6762 2.1326 4.4609 3.0424 1.6054 5.2888 3.5563 5.0016 4.4978 4.6860 4.2550 4.0622 6.7497 4.1075 4.2250 4.7481 4.2564 4.4287 4.6053 4.6101 3.3213 3.1798 2.2577 1.2568 1.7506 1.8485 4.7354 3.2092 3.2102 3.1628 4.7269 3.7730 6.5087 4.9655 4.0897 6.1423 5.4096 4.0891 4.0915 3.5807 2.5203 2.9324 3.6202 3.1439 2.3045 2.5856 4.8113 4.9377 2.8520 3.8339 4.2018 4.5850 4.8509 4.0433 4.6625 6.5085 5.4916 5.4241 4.6710 2.3760 3.9328 3.9573 4.8822 1.2965 6.1037 5.1194 3.8580 3.0872 1.5385 2.7922 2.9988 2.2058 1.2505 1.7000 4.8313 1.6526 2.1264 3.3706 3.3623 1.4921 2.7601 1.4347 3.1910 2.2118 2.0471 1.4843 2.5476 5.1258 1.3748 1.7372 2.5396 1.3419 1.5221 1.8286 2.3754 2.7894 1.5359 5.7078 2.9241 1.8255 2.1595 2.2038 1.6801 2.3093 1.5271 2.9308 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9.6995 11.3526 120.7233 59.5632 76.4284 9.0926 125.0776 30.1735 15.4002 30.1402 5.1710 16.2309 29.8944 37.4414 31.6782 11.6067 15.2823 28.4366 79.8527 238.0005 2.0006 160.6547 285.2348 387.8643 21.8911 1.1406 7.6415 50.1846 155.8856 61.8952 364.9289 35.5679 36.1766 15.3925 47.5506 8.4381 27.1099 6.0810 5.2768 47.6449 5.3248 19.8774 20.9664 2.3201 2.8066 24.9017 37.2816 4.5110 7.4530 1.3109 2.2806 11.0534 3.8221 26.7183 15.7552 4.2020 3.0408 1.8842 0.5003 1.2279 50.1159 19.7070 3.6928 2.2331 0.8416 2.3542 2.1879 4.0425 2.0416 2.3133 4.1241 1.3273 1.5734 1.9391 0.3643 2.9565 0.2321 2.1257 2.3244 1.7390 1.1934 1.2576 2.5011 0.3010 0.1893 0.2878 1.3903 1.0464 1.4115 1.1906 1.1939 4.6300 0.2946 1.2731 4.2327 3.4930 2.2581 2.0313 0.2291 1.3331 1.7249 1.4490 0.4239 2.3562 1.7090 2.6813 1.5998 1.0542 6.4731 1.2849 2.6048 1.7257 1.3270 5.9838 4.6520 6.4005 7.4677 3.4246 2.4137 2.7354 0.7777 1.5068 0.9142 6.8211 4.3826 1.6008 10.7349 5.5840 5.2195 0.7133 9.5387 12.9490 1.0250 2.0469 2.7081 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 13568.2373 28222.2298 29595.0616 0.99992 0.00148 0.01241 -0.00174 0.99978 0.02071 -0.01237 -0.02073 0.99971 1 0.00638 0.00307 0.00293 0.13301 0.06395 0.06098 19.85 22.35 27.11 30.41 48.81 55.54 73.13 84.63 101.19 114.27 121.08 135.35 146.12 160.68 212.49 239.36 265.30 272.35 299.40 313.26 328.34 342.75 351.86 367.68 381.98 410.95 420.45 435.20 446.54 465.98 482.99 512.09 534.61 549.16 590.33 605.18 657.51 667.87 672.56 698.98 708.64 726.70 733.12 743.42 767.71 802.10 811.65 839.13 877.33 898.32 904.53 938.52 953.56 969.47 998.42 1010.96 1054.32 1083.91 1104.59 1113.81 1128.34 1179.03 1187.38 1212.04 1233.17 1236.37 1245.12 1277.51 1314.30 1316.16 1328.58 1338.82 1370.17 1380.34 1393.13 1395.03 1423.94 1450.24 1468.41 1472.41 1473.12 1488.57 1509.12 1546.18 1547.77 1562.00 1565.33 1572.68 1581.48 1599.41 1603.99 1606.66 1614.61 1620.61 1656.83 1686.07 1691.64 1718.41 1735.33 1736.66 1739.11 1748.58 1787.34 1799.77 1818.19 1845.61 1859.89 1860.56 1865.38 1870.71 1881.02 1882.17 1896.94 1909.94 1915.49 1930.37 1963.90 1976.92 2007.42 2019.06 2043.73 2066.51 2082.41 2092.61 2100.91 2106.21 2116.77 2132.29 2150.74 2189.86 2192.01 2203.28 2237.42 2255.68 2266.23 2272.24 2274.36 2280.11 2287.18 2295.34 2316.11 2341.20 2346.59 2351.27 2353.08 2354.35 2364.48 2368.65 2374.31 2387.14 2388.21 2391.21 2400.56 2410.95 2441.17 2471.17 2483.69 2552.63 2558.90 2586.45 2605.35 2617.28 2620.56 2786.54 4583.74 4610.73 4618.80 4620.73 4678.23 4693.57 4694.28 4706.56 4716.22 4720.24 4729.06 4737.53 4756.14 4772.84 4793.46 4798.26 4805.20 4836.95 4839.09 4843.77 4857.53 4862.37 4865.07 4898.97 4902.23 4934.10 4946.34 4949.93 4976.84 5305.33 5592.06 0.599976 0.630303 0.631247 0.534111 -1880.436918 -1880.406591 -1880.405647 -1880.502783 3.257957D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE Cc1cccc(c1)NC(=O)N2Cc3c4c(sc3-n5cccc5[C@H]2c6ccc(cc6)OC)C[NH+](CC4)C C35426986 RHF 6-31G(d) (6D,10F) C1 499.216773 |X|Y|Z| 110.539045 65.542845 58.869593 75.273829 31 6 7 16 26 4 1 |36.858105| |12.607528|36.858105| |7.546477|13.723100|36.858105| |5.019162|7.925571|13.760173|36.858105| |4.417228|6.799079|7.895380|13.769002|36.858105| |5.008283|7.869850|6.873152|7.987377|13.732029|36.858105| |7.563769|13.720017|7.986118|6.937899|7.930280|13.725214|36.858105| |3.875160|5.160391|4.547882|5.141053|7.744712|13.422170|7.933193|53.358707| |3.111116|3.938273|3.707379|4.331188|6.255006|7.700516|5.259572|18.884326|36.858105| |2.936789|3.729876|3.710682|4.537932|6.514571|6.688376|4.649439|11.436994|15.887632|73.516695| |2.660724|3.183670|2.967104|3.323457|4.361476|5.184873|4.079163|11.156009|13.805754|15.055109|53.358707| |2.624806|3.044745|2.760911|2.977606|3.746140|4.585472|3.898214|9.433978|7.666574|9.469792|17.821042|36.858105| |2.183668|2.463363|2.284270|2.453907|2.965108|3.400516|2.988986|6.169432|5.083720|7.243780|10.472247|12.612896|36.858105| |2.012803|2.250759|2.117653|2.275689|2.695929|2.992948|2.659023|5.130361|4.040777|6.049008|7.222702|7.219149|13.232775|36.858105| |1.769706|1.947338|1.845275|1.968743|2.280446|2.485187|2.250108|4.099653|3.247573|5.075603|5.595336|5.053046|8.210589|14.156924|36.858105| |1.693922|1.851200|1.748079|1.854918|2.138638|2.339609|2.135917|3.852374|3.133495|4.974354|5.501345|4.721401|7.373882|7.411683|10.989325|388.023441| |1.972705|2.189324|2.039414|2.173338|2.570462|2.898116|2.602517|5.030879|4.225924|6.389176|8.271702|7.631167|14.154915|8.278134|7.770196|78.029314|36.858105| |1.989066|2.202445|2.045887|2.172130|2.561076|2.897104|2.617611|4.987275|4.308507|6.668424|8.283587|6.535028|7.929398|5.264131|5.005913|49.468357|13.804798|53.358707| |1.848034|2.004179|1.856769|1.940370|2.233463|2.509753|2.337427|4.138940|3.430290|5.487887|5.950336|4.638131|5.241735|3.995607|4.019877|40.390235|7.663423|18.789586|36.858105| |1.868729|2.026459|1.882521|1.965520|2.251339|2.516038|2.349928|4.077103|3.420362|5.642026|5.660074|4.068583|4.185410|3.274104|3.214077|29.529040|5.356855|11.735102|14.125273|36.858105| |2.038596|2.261386|2.113236|2.243354|2.622913|2.932001|2.659823|4.852819|4.323030|7.231193|7.260627|4.685070|4.503447|3.416654|3.215547|27.917195|5.401444|11.742483|8.495235|13.298343|36.858105| |2.127269|2.400034|2.244404|2.417766|2.900778|3.273037|2.879281|5.717547|5.362431|8.484541|10.524446|6.561385|6.419034|4.438297|4.020543|34.721329|7.849327|18.670081|8.448977|8.454594|14.094326|36.858105| |2.277282|2.654321|2.528618|2.819342|3.520968|3.902733|3.225887|7.116478|7.841728|12.484887|17.620966|7.525535|6.579992|4.700326|4.003138|30.770594|6.462646|10.190664|5.151651|5.094009|7.345528|12.613004|36.858105| |2.332283|2.741371|2.643299|2.977248|3.718374|4.026236|3.299931|7.002049|7.935703|15.045638|12.710064|5.692726|4.836189|3.737656|3.267776|24.935509|4.783799|7.684720|4.405885|4.721651|7.134339|9.158114|17.669013|0.500000| |2.003755|2.316794|2.264202|2.552157|3.117834|3.269579|2.722025|5.589910|5.614709|9.808318|10.354828|5.674090|5.996824|4.905204|4.364503|32.755956|5.974117|8.158691|4.349169|4.130271|5.243580|7.467272|12.411258|0.249654|36.858105| |2.022826|2.366890|2.359326|2.719343|3.349922|3.381609|2.754722|5.654229|5.508607|9.880935|8.973716|5.153059|5.309370|4.894890|4.222942|28.343911|4.753714|5.976785|3.383001|3.197091|3.842684|4.995287|7.473039|0.176504|13.654012|36.858105| |1.793420|2.065982|2.085201|2.385834|2.829998|2.788336|2.338439|4.421896|3.979240|7.278851|6.099240|3.870893|4.186949|4.226608|3.922408|25.951090|3.912321|4.872242|2.906693|2.743085|3.155598|3.853759|4.982171|0.125159|7.880329|13.832013|36.858105| |1.611945|1.825309|1.832671|2.058547|2.385375|2.373359|2.044495|3.713110|3.274936|5.982497|5.076501|3.324544|3.728135|3.756143|3.753501|26.493814|3.750639|4.777590|2.936751|2.774694|3.119270|3.692260|4.386407|0.111505|6.781627|7.923135|13.673825|36.858105| |1.600761|1.800627|1.786302|1.982986|2.296889|2.331886|2.028959|3.690519|3.294795|5.969972|5.284193|3.443731|3.930696|3.748673|3.838659|29.872540|4.253172|5.675887|3.493840|3.314148|3.736923|4.410840|4.964158|0.124764|7.854371|6.895414|7.959576|13.767367|36.858105| |1.761201|1.994183|1.954076|2.167575|2.557300|2.655336|2.289511|4.338020|4.038331|7.206177|6.887512|4.277026|4.839263|4.208683|4.130840|33.774902|5.432367|7.721948|4.439179|4.232434|5.082699|6.471027|7.477514|0.176468|13.769862|8.020084|6.923964|7.935674|13.691365|36.858105| |1.471607|1.651085|1.669432|1.864558|2.115959|2.081848|1.820039|3.174588|2.703402|4.946668|4.056306|2.739686|3.047011|3.176893|3.253857|22.531421|3.055274|3.885454|2.478096|2.349789|2.571421|2.937460|3.349693|0.087246|4.586476|5.294068|8.192077|14.137259|7.868322|5.195500|73.516695| |1.344312|1.491726|1.504964|1.661880|1.859354|1.836814|1.631190|2.771219|2.331310|4.270402|3.479687|2.375817|2.638031|2.715925|2.853002|20.602418|2.727906|3.552750|2.341939|2.242137|2.406262|2.661877|2.903816|0.076811|3.769918|3.989891|5.264972|8.012091|6.700856|4.503332|24.148099|36.858105| |1.603349|1.746987|1.672109|1.777471|2.019505|2.157526|1.976725|3.432670|2.663531|4.275813|4.324066|3.705781|5.062347|7.540204|12.728475|47.907141|4.853850|4.937085|3.125967|2.603369|2.585383|3.075778|3.102758|0.073572|3.437571|3.487396|3.470393|3.396709|3.341614|3.362783|5.567197|2.787163|36.858105| |1.663101|1.810702|1.734881|1.839796|2.079713|2.215679|2.039244|3.480321|2.619038|4.182321|4.116015|3.562547|4.501455|6.778857|7.797512|33.180572|3.971325|4.198945|2.672617|2.288064|2.306925|2.719201|2.822162|0.068048|3.054953|3.230087|3.203345|3.002127|2.853321|2.877889|5.004642|2.477447|12.688467|53.358707| |1.713287|1.850476|1.753758|1.839571|2.072544|2.238964|2.089453|3.517079|2.594116|4.093644|4.065469|3.628268|4.515312|6.569320|7.134528|32.067094|3.952851|4.191447|2.699056|2.298479|2.293713|2.685524|2.740086|0.066220|2.864395|2.967463|2.866667|2.681844|2.598326|2.678155|4.437064|2.224266|9.352434|25.689967|0.500000| |1.826522|2.025460|1.955158|2.105889|2.416537|2.555317|2.298925|4.048282|3.044787|4.828187|4.741239|4.064729|4.930644|7.646451|6.842285|30.104535|4.013069|4.271780|2.638288|2.301094|2.394308|2.873471|3.136505|0.075388|3.437417|3.848124|3.780052|3.331493|3.048407|3.091789|5.466766|2.604884|7.684592|17.203508|0.258494|36.858105| |2.095335|2.356598|2.235441|2.412874|2.848292|3.116695|2.760629|5.193578|3.876533|5.847273|6.291244|5.912728|7.272758|12.648162|7.645340|33.701923|5.089140|5.200769|3.079998|2.658810|2.811133|3.490528|3.880055|0.090455|4.058002|4.458560|3.992812|3.401404|3.205496|3.444140|5.311826|2.524013|6.341277|10.418323|0.204963|12.509444|36.858105| |1.500405|1.618938|1.566162|1.655041|1.838054|1.925855|1.789638|2.943749|2.204597|3.599344|3.361248|2.795172|3.339011|4.452823|5.039272|25.595685|3.069148|3.422391|2.245020|1.963273|1.971421|2.263477|2.344402|0.057927|2.549881|2.715142|2.786899|2.669031|2.507107|2.457900|4.636632|2.341574|7.690947|17.388364|0.259629|7.655362|4.990920|36.858105| |17.531132|8.849394|6.275594|4.456272|3.970711|4.438450|6.255715|4.855792|2.870426|4.768902|3.411288|2.527506|2.129910|1.994808|1.755002|11.810839|1.913249|2.590059|1.767354|1.766475|1.906784|2.004746|2.140462|0.060071|1.909162|1.942761|1.736774|1.561015|1.541867|1.684019|2.547914|1.308466|1.603651|2.288959|0.048349|1.846851|2.106673|1.523609|0.500000| |17.570678|8.827806|5.636113|4.203158|3.954745|4.706299|7.114907|5.246662|3.110645|5.145957|3.682989|2.699566|2.237323|2.037274|1.796126|12.357886|2.037388|2.822649|1.944473|1.974174|2.140064|2.211583|2.323433|0.065963|2.015507|2.002236|1.766873|1.599558|1.604553|1.778310|2.586441|1.334439|1.616966|2.266713|0.047895|1.810691|2.088923|1.495954|0.301928|0.500000| |17.580465|8.844656|7.085423|4.703753|3.951857|4.196511|5.657896|4.508230|2.771840|4.776452|3.245923|2.322666|1.966663|1.821844|1.619883|11.095802|1.798501|2.482231|1.707893|1.739837|1.894832|1.955902|2.088053|0.059950|1.856177|1.874173|1.678091|1.518070|1.507325|1.647738|2.478535|1.280417|1.477801|2.078421|0.043497|1.668988|1.888475|1.389335|0.302240|0.301815|0.500000| |6.983814|8.908339|17.712793|8.924162|5.633046|4.951831|5.661666|4.925546|3.075016|5.530063|3.462030|2.389805|2.024805|1.897703|1.675328|11.317708|1.828921|2.498496|1.684474|1.710624|1.900132|1.997458|2.220230|0.064423|2.017714|2.100819|1.888457|1.677395|1.633668|1.768877|2.744900|1.402039|1.534692|2.169314|0.044738|1.781264|2.002743|1.454288|0.168385|0.142839|0.211884|0.500000| |4.092543|5.644289|8.935224|17.716925|8.965593|5.674092|4.985592|5.663245|3.744010|7.213009|4.035135|2.648573|2.243602|2.109226|1.846948|12.378572|2.007388|2.727151|1.798356|1.824181|2.074456|2.224467|2.592970|0.076373|2.410401|2.599895|2.329704|2.015884|1.924151|2.072637|3.281747|1.648301|1.686069|2.374715|0.048130|1.995037|2.240900|1.586319|0.103940|0.096813|0.111604|0.215806|0.500000| |3.539025|4.919981|5.633015|8.914465|17.800172|8.900838|5.642888|9.574736|6.717333|13.844967|6.312298|3.809138|3.071930|2.810592|2.377495|15.802721|2.661600|3.592767|2.273386|2.287789|2.696283|3.023505|3.814524|0.112937|3.481206|3.876918|3.250110|2.674307|2.534457|2.808635|4.188179|2.042562|2.104826|2.934693|0.058915|2.535389|2.968545|1.905071|0.090466|0.090186|0.090147|0.124129|0.215960|0.500000| |7.038119|8.930002|5.665726|4.982048|5.643489|8.921350|17.670940|9.987534|4.961657|7.479344|5.587235|4.129196|3.131528|2.746661|2.324049|15.807237|2.734979|3.759004|2.487496|2.488724|2.776281|2.990213|3.235752|0.090310|2.684423|2.657370|2.253627|1.993501|2.002139|2.275532|3.149529|1.596626|2.026083|2.835069|0.059964|2.315173|2.808071|1.816162|0.167970|0.215136|0.144092|0.124313|0.108017|0.124111|0.500000| |3.922056|4.927227|4.104161|4.322045|5.788290|9.379710|7.666066|26.098706|9.417662|10.968580|10.440732|7.889577|4.874230|3.959343|3.139727|21.041916|3.931229|5.275956|3.236755|3.139650|3.642111|4.281034|4.944507|0.129928|3.834299|3.756568|2.989916|2.567246|2.587331|3.049020|3.922980|1.945078|2.600889|3.592227|0.075418|3.017502|3.945481|2.211116|0.101606|0.112313|0.091424|0.092861|0.098720|0.144275|0.234761|0.500000| |2.724618|3.090341|2.725619|2.852728|3.499435|4.411526|3.986169|8.680566|6.443593|8.311219|12.306280|17.505181|9.016270|5.710606|4.400635|31.175958|6.968106|9.076311|5.050550|4.443020|4.948979|6.474555|6.301286|0.142328|4.619305|4.080295|3.216415|2.867543|3.028679|3.731998|4.287829|2.142331|3.323097|4.335521|0.092284|3.468881|4.747394|2.551222|0.072512|0.079733|0.066581|0.065762|0.069949|0.095569|0.123409|0.224691|0.500000| |2.820642|3.310620|2.987068|3.223778|4.092747|5.092819|4.292752|10.537196|7.245782|8.992551|12.532995|17.634284|8.978873|6.971183|4.723801|28.906711|5.680033|6.543845|3.703935|3.313879|3.723208|4.809049|5.627710|0.128882|4.716674|4.726707|3.680168|3.094223|3.084126|3.642597|4.643396|2.250701|3.645715|5.062095|0.106389|4.444545|6.864960|2.912817|0.076586|0.079493|0.068420|0.071226|0.078868|0.114019|0.125261|0.250266|0.302791|0.500000| |1.738496|1.862684|1.724476|1.788131|2.033991|2.275861|2.149665|3.691043|2.968644|4.757831|5.011781|4.068906|4.765521|3.865741|4.068045|42.392801|6.824362|12.141076|17.804890|8.642857|5.776539|5.837662|4.108054|0.099039|3.667939|2.989171|2.643442|2.692841|3.147404|3.791183|4.131628|2.218323|3.223029|3.705605|0.077213|2.606819|2.986485|2.297179|0.046576|0.050836|0.044685|0.043739|0.046183|0.057232|0.063794|0.080744|0.123153|0.093793|0.500000| |1.765334|1.889213|1.757481|1.818388|2.049384|2.271525|2.157137|3.581459|2.934642|4.926880|4.642919|3.349142|3.412178|2.788041|2.770650|24.869106|4.181516|7.988882|8.826941|17.796827|8.494725|5.797885|4.019606|0.107722|3.395960|2.731236|2.401567|2.449886|2.890535|3.530007|3.768755|2.054442|2.315369|2.795157|0.057477|2.048752|2.324790|1.791317|0.046342|0.051998|0.045996|0.044736|0.047095|0.057499|0.063501|0.076473|0.101744|0.078506|0.197488|0.500000| |2.061927|2.293350|2.160593|2.299165|2.670096|2.942539|2.669503|4.730471|4.230681|7.453527|6.549315|4.039360|3.744875|2.957296|2.772224|23.103335|4.220067|7.990007|5.815109|8.498260|17.784479|8.829947|6.444593|0.202436|4.739002|3.603478|2.991260|2.948757|3.479781|4.581066|4.368890|2.313808|2.291681|2.829966|0.057274|2.176550|2.523756|1.802933|0.053041|0.060062|0.053703|0.054087|0.059293|0.076315|0.076459|0.096381|0.117134|0.092745|0.122809|0.195343|0.500000| |2.238963|2.676627|2.683126|3.162276|4.039950|4.032651|3.157525|6.865246|6.820705|12.066554|10.169325|5.620957|5.242901|4.840924|3.952802|25.479355|4.373002|5.471790|3.133014|2.979581|3.579182|4.585684|6.948872|0.170584|8.899335|17.754868|9.004565|5.655466|4.967586|5.682164|7.627032|3.341575|3.296708|4.346804|0.082623|3.942837|4.747690|2.679113|0.059715|0.060996|0.057193|0.065448|0.083280|0.134065|0.083125|0.121456|0.120280|0.151887|0.077393|0.071280|0.094464|0.500000| |1.771990|2.043574|2.088742|2.406395|2.823204|2.719542|2.284016|4.198391|3.639814|6.692711|5.309984|3.461801|3.658932|3.835777|3.542046|22.579339|3.340695|4.137461|2.526726|2.392690|2.711238|3.228848|4.063855|0.104869|5.611596|8.902665|17.725153|8.955561|5.671009|4.979582|13.476063|4.884314|3.274559|4.286186|0.077823|3.813096|3.876163|2.806251|0.047956|0.048061|0.046174|0.052803|0.066088|0.090812|0.060556|0.078409|0.080710|0.095095|0.064783|0.059034|0.072171|0.215987|0.500000| |1.478731|1.645167|1.630755|1.791999|2.043561|2.075461|1.835835|3.233546|2.817643|5.102495|4.437174|2.969356|3.386317|3.262049|3.452251|27.795166|3.764062|5.127022|3.326104|3.181463|3.459070|3.878043|4.074044|0.105027|5.631507|4.967402|5.640668|8.876277|17.758762|8.948357|12.463495|7.389685|3.098961|3.572341|0.066724|2.721438|2.804432|2.354824|0.039616|0.041287|0.038865|0.041741|0.048467|0.061909|0.050555|0.063617|0.074553|0.074329|0.084800|0.078783|0.090081|0.107837|0.124250|0.500000| |1.715597|1.921627|1.867054|2.042718|2.383280|2.505549|2.201202|4.065250|3.711683|6.571851|6.292905|4.014942|4.514463|3.818088|3.836171|33.878443|5.466778|8.689409|5.258815|5.164686|6.162855|7.320320|6.925781|0.169418|8.923144|5.671840|4.979362|5.667205|8.980681|17.724224|7.467820|3.914866|3.125819|3.614557|0.069778|2.772530|3.089291|2.283310|0.045430|0.048537|0.044687|0.047121|0.054067|0.071408|0.061461|0.080792|0.101914|0.093558|0.120972|0.117763|0.150017|0.124357|0.107996|0.218938|0.500000| |1.313880|1.449187|1.449830|1.587232|1.774940|1.775823|1.589312|2.696677|2.255308|4.065447|3.422910|2.383141|2.707971|2.806088|3.042776|22.512209|2.865285|3.708163|2.467891|2.330827|2.451883|2.708171|2.866862|0.074678|3.676387|3.736040|4.679212|6.931106|6.675380|4.529274|16.413773|17.556499|3.000557|3.528033|0.064489|2.652222|2.553252|2.451782|0.035584|0.036402|0.034693|0.037516|0.043449|0.053614|0.043566|0.053169|0.060085|0.062252|0.065658|0.059372|0.064620|0.086981|0.117796|0.226063|0.112709|0.500000| |1.277813|1.412574|1.431947|1.578151|1.747819|1.714766|1.531617|2.554701|2.115961|3.877433|3.107729|2.142398|2.354126|2.454254|2.571095|18.187438|2.402153|3.116348|2.075223|1.990768|2.121144|2.325320|2.529251|0.067406|3.170514|3.418054|4.424208|5.884386|4.892441|3.612541|16.979972|17.651796|2.574805|3.181381|0.058294|2.453743|2.335425|2.260540|0.034668|0.035120|0.033912|0.037259|0.043745|0.053203|0.041543|0.049827|0.053963|0.057152|0.055084|0.051130|0.056979|0.082460|0.121737|0.144922|0.089071|0.300114|0.500000| |1.341526|1.489361|1.506058|1.664829|1.858917|1.830197|1.625206|2.748440|2.330322|4.335306|3.446299|2.310864|2.518453|2.523101|2.613875|19.328511|2.627213|3.519772|2.343136|2.289005|2.479960|2.694752|2.932698|0.079305|3.766523|3.863169|4.866614|7.146575|6.726899|4.601088|16.439123|17.574797|2.502291|3.044729|0.056614|2.353877|2.332549|2.100793|0.036089|0.037035|0.035617|0.039014|0.045968|0.056792|0.044111|0.053380|0.058351|0.060362|0.061070|0.058572|0.067200|0.090001|0.122880|0.217570|0.113509|0.298969|0.299879|0.500000| |1.524464|1.666398|1.612627|1.726929|1.956305|2.056414|1.871003|3.238629|2.549880|4.177778|4.088606|3.343911|4.402603|6.056630|8.825657|41.852136|4.314287|4.577645|2.912696|2.475708|2.484597|2.934144|3.010669|0.072153|3.475859|3.600149|3.769047|3.797675|3.645603|3.496668|6.391549|3.185920|17.588838|12.420090|0.182478|6.842445|5.367545|7.286541|0.042240|0.042505|0.039267|0.041253|0.045898|0.057233|0.052720|0.067017|0.082704|0.090978|0.082334|0.061460|0.061812|0.092417|0.099374|0.094531|0.088790|0.096576|0.081858|0.077490|0.500000| |1.514829|1.631782|1.556090|1.638001|1.841276|1.971930|1.833742|3.101417|2.383225|3.845633|3.822280|3.266000|4.315008|5.742675|8.834057|44.782820|4.361091|4.601900|3.038726|2.519781|2.440478|2.830742|2.769403|0.066594|2.993638|2.965222|2.945822|2.947524|2.967245|2.990944|4.905431|2.534540|17.605713|12.376155|0.229840|5.618327|4.894817|7.030786|0.042150|0.042639|0.038895|0.039887|0.043185|0.052850|0.052561|0.065805|0.084293|0.088598|0.089663|0.063089|0.060116|0.078044|0.077321|0.078493|0.079437|0.076578|0.065532|0.063822|0.301388|0.500000| |1.746281|1.947741|1.905000|2.076688|2.385421|2.473270|2.197255|3.896306|3.016278|4.895577|4.684741|3.807432|4.609072|6.692397|6.382910|29.665703|3.887858|4.207384|2.589533|2.280425|2.396465|2.878884|3.201811|0.077240|3.687957|4.290433|4.457923|3.900140|3.427114|3.357484|6.479635|2.999983|7.264592|12.428128|0.182253|17.619480|8.792384|6.875756|0.048723|0.047916|0.044645|0.048323|0.055214|0.070747|0.060767|0.078954|0.089428|0.112183|0.070409|0.056379|0.060849|0.118998|0.127506|0.084125|0.081741|0.084383|0.078480|0.073818|0.212157|0.145446|0.500000| |1.825939|2.015172|1.954261|2.095268|2.371449|2.484150|2.258354|3.833550|2.808877|4.492400|4.211094|3.550030|4.018612|5.552702|4.987832|24.423700|3.326985|3.685877|2.324647|2.062102|2.145976|2.525133|2.758076|0.067804|2.965443|3.338689|3.304782|2.910543|2.648953|2.672511|4.883816|2.353173|5.619347|12.343331|0.217552|17.633958|8.775142|7.353139|0.051796|0.049930|0.046375|0.049723|0.055358|0.068643|0.062853|0.079178|0.086079|0.110624|0.063903|0.051572|0.054879|0.097242|0.095243|0.066404|0.067177|0.065890|0.062578|0.059437|0.144041|0.126668|0.300486|0.500000| |2.215421|2.465434|2.300680|2.437673|2.847663|3.182977|2.895841|5.239532|3.697004|5.507443|5.797770|5.672055|6.302352|8.854798|6.071729|29.506794|4.537863|4.808693|2.929238|2.542595|2.656910|3.224263|3.489198|0.083045|3.465807|3.696230|3.299403|2.865615|2.747292|2.973494|4.542939|2.207604|5.270329|9.017273|0.204690|8.834949|17.521062|4.599826|0.062581|0.061551|0.054952|0.057238|0.062269|0.080346|0.083159|0.114432|0.134395|0.195429|0.079762|0.062361|0.066578|0.110955|0.089654|0.067966|0.075987|0.062032|0.057244|0.057317|0.121939|0.122558|0.173455|0.218901|0.500000| |2.234496|2.570825|2.468734|2.724512|3.290405|3.550762|3.034542|5.982525|4.504972|6.765278|7.096927|6.210489|6.665200|8.895711|5.832187|29.257515|4.663393|5.016998|2.944755|2.611795|2.844583|3.552583|4.197693|0.098667|4.434765|5.221653|4.535966|3.639821|3.333943|3.593828|5.611037|2.607081|4.921360|7.628692|0.146467|8.992755|17.576362|4.144709|0.062126|0.061188|0.055846|0.060847|0.070233|0.097184|0.083813|0.121362|0.131995|0.212167|0.077523|0.063374|0.072015|0.165901|0.124918|0.079456|0.087540|0.071755|0.066990|0.067276|0.125477|0.109312|0.220400|0.206815|0.303862|0.500000| |1.418140|1.517418|1.462840|1.535166|1.694972|1.782231|1.671740|2.714781|2.033693|3.329969|3.104867|2.580457|3.088245|3.968104|4.680966|25.240009|2.935027|3.308581|2.214297|1.928921|1.907491|2.163426|2.194162|0.054427|2.364395|2.459740|2.515424|2.463331|2.363082|2.319313|4.293894|2.218651|7.171683|12.305405|0.221564|5.579380|4.154366|17.645451|0.039964|0.039475|0.036577|0.037868|0.040868|0.048546|0.047402|0.056979|0.066675|0.073515|0.063900|0.049237|0.048370|0.066798|0.069472|0.062652|0.060804|0.065341|0.059530|0.055581|0.185386|0.216828|0.142454|0.146848|0.109300|0.096845|0.500000| |1.519584|1.633677|1.581741|1.664441|1.835177|1.918248|1.794623|2.897008|2.133290|3.482005|3.193497|2.654064|3.057999|3.965130|4.190774|22.033988|2.764639|3.135446|2.066320|1.827518|1.843525|2.102499|2.192067|0.054685|2.347806|2.519776|2.565342|2.419396|2.262187|2.234019|4.211439|2.126944|5.601676|12.314234|0.225597|6.994718|4.711650|17.649947|0.043177|0.041919|0.039056|0.040914|0.044345|0.052543|0.050508|0.060488|0.067696|0.078404|0.058483|0.046536|0.047180|0.070416|0.072757|0.058908|0.057755|0.061034|0.057475|0.053499|0.145771|0.145099|0.166454|0.222201|0.127171|0.111232|0.299227|0.500000| 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