Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C36014241 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C01[X(C27H28F2N3O3S1)] 186 C1 600 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)[NH2+]C24CCN(CC4)[S](=O)(=O)c5ccc(F)cc5)cc1 InChIKey=UFLVUNTZRPDEMM-RUZDIDTESA-O InChI=1S/C27H27F2N3O3S/c28-22-8-6-21(7-9-22)19-32-26(33)25(18-20-4-2-1-3-5-20)30-27(32)14-16-31(17-15-27)36(34,35)24-12-10-23(29)11-13-24/h1-13,25,30H,14-19H2/p+1/t25-/m1/s1 InChI=1/C27H27F2N3O3S/c28-22-8-6-21(7-9-22)19-32-26(33)25(18-20-4-2-1-3-5-20)30-27(32)14-16-31(17-15-27)36(34,35)24-12-10-23(29)11-13-24/h1-13,25,30H,14-19H2/p+1/t25-/m1/s1/fC27H28F2N3O3S/h30H/q+1 c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C01[X(C27H28F2N3O3S1)] 186 C01 600 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2+]C21CCN(CC2)S(=O)(=O)c1ccc(cc1)F)Cc1ccccc1 Fc1ccc(cc1)CN1C(=O)[C@H]([NH2][C@@]21CCN(CC2)[S@](=O)(c1ccc(cc1)F)O)Cc1ccccc1 O[S](=O)(N1CCC2(CC1)[NH2][C@H](Cc3ccccc3)C(=O)N2Cc4ccc(F)cc4)c5ccc(F)cc5 InChIKey=NZDQPXSLMXNPBM-AHWVRZQESA-N InChI=1S/C30H39N4O2/c1-3-24(22-9-5-4-6-10-22)29(36)34-19-26(30(20-34)13-16-31-17-14-30)28(35)32-15-12-23-18-33-27-21(2)8-7-11-25(23)27/h4-11,18,24,26,33H,3,12-17,19-20,31H2,1-2H3,(H,32,35)/t24-,26-/m0/s1 InChI=1/C30H39N4O2/c1-3-24(22-9-5-4-6-10-22)29(36)34-19-26(30(20-34)13-16-31-17-14-30)28(35)32-15-12-23-18-33-27-21(2)8-7-11-25(23)27/h4-11,18,24,26,33H,3,12-17,19-20,31H2,1-2H3,(H,32,35)/t24-,26-/m0/s1/f/h32H 4145.5195039387 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3342.2834 3349.0115 3361.6990 3364.1010 3379.2766 3379.5841 3389.4482 3402.3922 3402.7560 3406.4264 3407.5369 3409.5156 3417.8760 3424.9531 3666.6550 3735.6235 7.6505 7.3177 7.3478 5.2974 4.0319 5.3038 5.1771 5.0420 4.6474 6.3039 4.5762 5.3990 6.1127 6.9161 8.0355 6.5360 6.2638 5.7355 5.0656 4.9068 7.0212 6.6997 6.0208 3.0769 2.9163 4.5940 2.5972 3.4663 4.3405 3.7720 3.0573 2.8771 3.9548 2.9294 3.7851 3.4557 3.0353 3.0638 3.4606 3.9792 4.2472 4.1922 4.2052 3.4470 3.1170 4.6916 4.2813 4.2693 5.6806 3.2434 5.0361 6.3103 7.1033 6.8702 6.2223 3.0274 3.7759 4.5401 4.2662 2.2169 5.7034 3.8597 3.8946 1.6946 1.8612 2.5805 5.1932 3.6262 4.2439 1.2579 1.9625 1.2503 1.7143 1.5694 1.2594 2.5365 3.3392 2.2958 2.0062 1.6219 2.1045 1.3951 1.7615 2.1029 2.6125 1.3611 2.8746 1.3658 1.3474 2.6054 2.1684 1.9669 2.2897 2.5299 1.3784 3.2989 2.0902 3.8167 2.0383 1.8181 1.5995 2.1957 2.3074 3.5068 2.2974 2.0809 1.9404 1.3237 1.4399 1.2165 4.7256 2.1779 2.3766 2.8198 1.5487 1.3069 1.5764 1.5593 4.1599 3.9770 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1.8825 0.2571 2.3110 1.5554 0.5204 9.3486 2.5477 1.3490 9.6023 19.7955 5.0895 24.4706 2.7940 11.3917 17.3460 105.0217 37.5887 1.8188 14.1602 0.1123 3.1343 1.2170 33.8650 18.4296 7.1763 66.9191 8.8001 27.0313 202.2312 50.3475 8.9043 39.4543 5.1578 3.2844 23.5261 15.6824 14.2926 2.3274 16.0112 0.5194 29.4084 66.2329 1.2505 171.1274 8.0428 9.3845 7.4760 19.1778 27.9654 0.2289 3.2129 4.1189 5.8699 0.2544 4.7406 0.0099 0.2211 5.8864 75.4295 60.6523 1.7114 2.6991 1.0321 6.7878 5.4917 45.4703 3.2793 9.3304 5.2150 11.5855 8.3224 159.2923 101.0232 23.6054 41.9009 40.1570 4.4367 1.7754 12.4109 30.6290 13.2005 11.4789 14.6190 29.4562 19.0954 35.0736 160.3125 138.5417 104.7788 86.4593 3.6984 121.8103 84.5432 55.5591 76.7523 15.8225 26.2620 22.1271 4.5783 29.5959 21.9354 85.3443 8.4585 194.6778 33.6524 184.2158 27.2328 18.7125 9.3691 3.0333 13.3988 8.8292 8.7704 6.9620 11.8467 13.0040 86.8472 123.4982 19.4396 3.6611 5.8894 168.3949 0.5493 77.3358 66.5172 455.4487 8.3207 9.6426 6.7516 7.8780 25.3379 10.0916 24.4653 3.2030 2.1429 5.6784 13.1615 7.8306 13.5829 9.3115 15.0378 1.4721 0.6149 6.5491 13.6068 9.3835 0.5182 1.4814 1.2189 0.2121 0.2514 1.1819 48.1106 60.0126 0.9080 2.0067 1.1541 3.4204 4.4308 5.2563 6.6233 1.3382 5.3018 2.0410 1.8823 0.5352 0.8922 0.6801 0.9085 0.1671 2.1048 0.5649 2.5553 2.2876 0.5006 4.5093 1.7956 1.4381 1.3629 0.3625 0.1208 4.5962 0.9799 2.9407 2.7111 1.1707 0.1164 0.0385 0.6110 0.0850 0.0434 0.3115 1.2454 0.9893 1.3695 0.5086 2.3812 1.5059 2.2289 0.7957 1.3412 1.6036 2.5879 3.1960 1.8561 4.8318 7.2746 7.2515 9.0367 1.3170 9.6815 2.6841 3.1039 0.9549 6.7548 0.5405 4.6213 1.0078 3.4222 3.6336 35.6505 5.8543 14.4635 1.8125 8.0373 2.0913 3.8379 1.3179 2.3257 5.5948 1.2262 0.9287 0.7192 0.9211 1.0472 0.9546 6.4127 10.1941 8.5513 0.1453 0.2851 0.0641 0.0711 1.0403 10.2500 6.7054 8.1952 4.4549 0.5833 3.3375 2.3814 4.0770 1.8725 0.6834 1.3780 2.6737 3.7048 19.1116 5.9341 2.5711 3.5403 5.7376 1.9499 3.3312 1.6718 9.0326 3.4177 7.0144 11.1779 4.4533 2.7660 3.3222 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16765.4232 27465.1550 37822.3934 0.99969 -0.02420 0.00567 0.02427 0.99963 -0.01254 -0.00536 0.01267 0.99991 1 0.00517 0.00315 0.00229 0.10765 0.06571 0.04772 17.42 18.81 23.86 35.30 46.20 52.62 57.80 74.81 81.24 105.31 119.40 145.77 163.10 178.40 215.52 250.19 252.55 299.52 303.01 351.69 380.90 424.30 435.38 455.44 475.45 492.67 533.48 543.82 555.81 561.30 583.20 611.21 644.39 655.36 657.66 665.67 672.56 679.78 711.33 722.31 753.58 769.28 782.02 802.43 830.27 852.01 865.08 868.50 904.16 936.71 940.32 977.64 991.50 1002.10 1022.36 1042.37 1064.87 1114.98 1118.48 1124.45 1145.83 1174.18 1206.96 1215.72 1237.38 1270.44 1310.84 1315.38 1325.39 1341.69 1347.74 1352.47 1369.48 1373.13 1384.34 1426.04 1456.41 1465.41 1481.19 1501.39 1513.27 1552.84 1563.36 1563.89 1571.91 1583.28 1596.02 1597.58 1599.38 1601.54 1613.34 1624.83 1625.14 1641.44 1646.91 1659.28 1686.66 1708.67 1711.75 1714.46 1725.79 1766.74 1783.47 1806.50 1811.47 1846.21 1847.29 1851.20 1852.87 1877.25 1882.67 1888.31 1892.42 1898.52 1911.17 1942.91 1973.49 1982.73 2019.59 2030.00 2043.43 2047.74 2061.62 2069.93 2078.31 2090.23 2124.82 2134.71 2138.81 2165.27 2176.67 2181.17 2194.15 2212.02 2217.50 2232.14 2250.47 2254.18 2265.13 2283.09 2332.90 2334.77 2345.53 2352.25 2359.70 2365.87 2387.92 2403.53 2421.41 2447.23 2565.64 2566.37 2576.26 2591.12 2599.45 2614.68 2621.48 2895.38 4640.18 4650.13 4679.64 4695.85 4716.99 4720.05 4731.08 4733.69 4752.87 4753.90 4787.35 4794.18 4808.80 4818.48 4836.74 4840.19 4862.03 4862.47 4876.66 4895.28 4895.81 4901.09 4902.69 4905.53 4917.56 4927.74 5275.50 5374.73 0.559331 0.588090 0.589034 0.493978 -2022.243875 -2022.215116 -2022.214172 -2022.309228 3.188194D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)Cc5ccc(cc5)F C36014241 RHF 6-31G(d) (6D,10F) C1 512.181945 |X|Y|Z| 84.939977 112.939213 43.644023 74.810156 31 6 7 16 27 3 1 |36.858105| |13.724463|36.858105| |7.930645|13.769711|36.858105| |6.831861|7.901547|13.675316|36.858105| |7.935913|6.884721|7.951147|13.711926|36.858105| |13.771684|7.946879|6.877906|7.894432|13.722818|36.858105| |4.426556|5.011458|7.538465|12.570060|7.550877|5.008990|36.858105| |3.767813|4.290060|5.971336|7.553288|5.447594|4.078848|12.456379|36.858105| |3.758194|4.522660|6.378730|6.761799|4.777255|3.827752|8.798541|17.618866|0.500000| |2.914992|3.208136|4.100217|4.890235|4.000164|3.157014|7.409590|12.532812|0.247184|36.858105| |2.641407|2.913407|3.678950|4.269377|3.523755|2.832461|6.375888|7.950974|0.184700|16.031734|73.516695| |2.672850|2.857784|3.466844|4.050586|3.564530|2.909706|5.318017|8.139069|0.181258|14.013672|14.821134|53.358707| |2.944535|3.117610|3.705750|4.271665|3.850502|3.200050|5.058478|7.821323|0.185355|8.087226|9.669446|17.790886|36.858105| |3.812966|4.072878|5.118935|6.419193|5.516303|4.260541|7.560681|12.712865|0.253038|8.185524|9.764971|11.444444|12.498842|53.358707| |4.301189|4.618134|5.622151|6.539666|5.716612|4.665639|6.446729|9.046688|0.229902|5.936120|7.824722|8.211580|8.971413|25.689777|0.500000| |3.900314|3.951655|4.821633|6.532469|6.295839|4.645016|7.469667|9.227367|0.182617|6.903930|8.908373|9.726467|9.125579|25.663122|0.328198|0.500000| |2.720497|2.752155|3.109776|3.592163|3.517287|3.020877|3.978700|5.121904|0.123684|5.246545|7.183460|10.232921|12.388832|10.522243|0.184269|0.214147|36.858105| |2.283396|2.316616|2.552094|2.820008|2.757263|2.465674|3.063879|3.808048|0.098100|4.044038|5.927233|7.561154|7.370728|6.758356|0.128595|0.132595|12.404035|36.858105| |2.249015|2.320225|2.532563|2.695719|2.583149|2.357933|2.869128|3.609526|0.098365|3.709345|5.495790|6.538548|6.460614|6.195767|0.125469|0.114488|7.632168|13.060572|53.358707| |2.309349|2.455060|2.743057|2.874410|2.645322|2.383101|3.137302|4.153310|0.117958|4.361670|6.378137|7.704664|7.420175|6.757546|0.134821|0.116761|6.514012|7.859258|17.766028|36.858105| |2.781972|3.023582|3.509773|3.715937|3.289218|2.877385|4.132481|6.079236|0.176749|5.927815|7.948474|10.298359|12.334637|10.497386|0.207835|0.159498|7.432389|6.505757|10.481928|12.425255|36.858105| |2.317586|2.357354|2.487195|2.587593|2.533220|2.395624|2.619735|3.159346|0.087784|3.045113|4.594377|4.949699|4.817895|5.425887|0.118542|0.102346|5.608111|7.144256|15.573518|7.160217|5.721305|388.023441| |2.240051|2.325259|2.437123|2.455122|2.353990|2.252024|2.468876|2.974011|0.085909|2.843966|4.360761|4.455164|4.149619|4.843997|0.107532|0.089062|4.279062|5.017613|10.524888|6.822965|5.423331|94.832269|73.516695| |2.692037|2.677322|2.792076|2.943653|2.960870|2.824101|2.890441|3.426297|0.093409|3.150507|4.688955|5.016676|5.079735|6.226520|0.142711|0.120817|6.216880|6.491754|10.262168|5.555202|5.451273|94.127383|13.696691|73.516695| |1.969937|1.970362|2.050000|2.140858|2.138654|2.048165|2.167949|2.511884|0.068832|2.484131|3.869576|3.980778|3.563511|4.135687|0.087635|0.081416|4.299471|5.734763|9.622967|4.781610|3.868620|77.110621|12.903955|13.053829|36.858105| |1.747387|1.763726|1.838831|1.904487|1.882589|1.801786|1.948549|2.248579|0.062171|2.269871|3.602236|3.607755|3.087755|3.568415|0.074511|0.069802|3.544951|4.711959|7.954280|4.372984|3.409572|49.790246|10.945686|8.751318|13.683632|36.858105| |1.579358|1.581952|1.637328|1.696652|1.692292|1.631025|1.730650|1.956376|0.053820|1.981922|3.193918|3.100865|2.577148|3.052935|0.063362|0.060656|2.950891|3.747480|5.733230|3.358758|2.753847|33.839545|7.672929|6.793048|7.962196|13.831571|36.858105| |1.576075|1.558233|1.599999|1.667023|1.687791|1.638698|1.685100|1.876307|0.051155|1.883903|3.038884|2.925060|2.432002|2.944856|0.061264|0.059506|2.842051|3.489363|5.020471|2.941257|2.520306|30.229563|6.589213|6.616863|6.990667|8.022917|13.755789|36.858105| |1.728961|1.690827|1.728475|1.813106|1.859086|1.812187|1.815261|2.014081|0.054494|1.994007|3.184390|3.100606|2.631781|3.226024|0.067657|0.065928|3.168409|3.817830|5.328230|3.039914|2.676647|33.777677|6.906973|7.917426|7.960529|6.831231|7.854764|13.818731|36.858105| |1.957778|1.919604|1.972054|2.075059|2.121939|2.056588|2.073078|2.339307|0.063268|2.289859|3.591047|3.610561|3.186537|3.857390|0.081863|0.078264|3.946686|4.861462|6.980113|3.735938|3.270412|49.732151|9.025986|11.697190|13.738507|7.869391|6.830738|8.021987|13.764502|36.858105| |1.432431|1.412600|1.444730|1.502485|1.525464|1.487570|1.517681|1.668227|0.045467|1.680347|2.742717|2.575857|2.097423|2.576181|0.053356|0.052346|2.410545|2.866312|4.031968|2.462529|2.152519|23.364508|5.277599|5.293235|4.713241|5.337478|8.204455|14.467391|8.210709|5.331587|97.533100| |2.220792|2.344164|2.749283|3.120453|2.842090|2.399499|3.904978|5.086906|0.123982|7.772381|11.949862|17.622090|7.299193|7.012748|0.115797|0.133309|5.985741|5.343150|6.141178|5.157161|5.572394|23.553259|5.314998|5.699474|2.817923|2.640249|2.301022|2.152204|2.236347|2.545901|4.299493|36.858105| |2.088704|2.149324|2.471771|2.852709|2.711636|2.300246|3.484266|4.121604|0.098571|5.591480|9.213640|10.311430|5.496181|5.887776|0.099334|0.122206|5.511134|4.976304|5.312892|4.006046|4.155885|21.267799|4.681302|5.261439|2.680127|2.505405|2.240381|2.140113|2.237093|2.502446|4.321678|12.561776|36.858105| |2.157998|2.198731|2.538932|3.007356|2.901507|2.420451|3.739803|4.111106|0.095483|5.419206|9.442220|8.476871|4.672835|5.658417|0.095139|0.123778|4.657461|3.959390|4.348945|3.249682|3.519052|18.505886|4.106612|4.735120|2.350163|2.179966|1.979356|1.924976|2.031894|2.251951|3.933038|7.522784|13.671426|36.858105| |1.973864|1.976912|2.230308|2.615194|2.604804|2.222710|3.104580|3.253070|0.077595|3.930263|6.941594|5.916238|3.630469|4.552689|0.079724|0.101361|3.838593|3.413005|3.771879|2.729625|2.872498|16.575952|3.671772|4.260871|2.177708|2.030858|1.881847|1.856883|1.960615|2.131736|3.843225|5.004759|7.889616|13.792132|36.858105| |1.785404|1.781600|1.976911|2.267377|2.272503|1.988034|2.607704|2.778246|0.068080|3.275115|5.698103|5.090162|3.277176|3.987467|0.071577|0.087303|3.619937|3.446053|3.777284|2.663022|2.686143|16.561500|3.643911|4.185870|2.244224|2.117936|1.988137|1.967878|2.061021|2.207425|4.097529|4.451474|6.893195|8.011091|13.787176|36.858105| |1.739549|1.748657|1.937036|2.189663|2.169273|1.913054|2.504865|2.765674|0.068804|3.291036|5.617586|5.371362|3.497831|4.038853|0.072878|0.086196|3.944315|4.019348|4.326963|3.012720|2.918886|18.345661|4.006508|4.510382|2.513489|2.401739|2.245060|2.192477|2.268128|2.430990|4.531612|5.006375|7.879617|6.867955|7.903533|13.848242|36.858105| |1.864925|1.899938|2.133312|2.410415|2.337164|2.038756|2.812339|3.246706|0.080554|4.041275|6.739613|7.096449|4.412094|4.765203|0.084284|0.099062|4.861939|5.012507|5.271953|3.764373|3.611444|21.081222|4.593503|5.089361|2.789016|2.657941|2.413931|2.305081|2.379330|2.613478|4.676395|7.556597|13.730042|7.967694|6.881489|8.022577|13.734599|36.858105| |1.647271|1.629362|1.783082|2.027146|2.059724|1.831664|2.278277|2.369661|0.058843|2.698512|4.735392|4.063710|2.706013|3.388338|0.062132|0.074347|2.990895|2.887448|3.250532|2.273463|2.282403|14.707650|3.258794|3.734088|2.034349|1.931192|1.845920|1.850541|1.934993|2.034305|3.911992|3.400698|4.662395|5.320040|8.179814|14.406468|8.185468|5.318359|97.533100| |17.732337|8.906155|5.644345|4.931779|5.644015|8.920168|3.542294|3.126553|0.087353|2.512621|4.090749|3.190996|2.580236|4.360283|0.099852|0.090821|2.433282|2.090311|2.822878|2.109492|2.479565|15.443629|3.757881|4.467971|1.874445|1.668528|1.519181|1.523532|1.671388|1.877597|3.131387|1.988701|1.884010|1.937534|1.793912|1.641348|1.603295|1.706043|3.437927|0.500000| |8.906537|17.728393|8.934604|5.632740|4.959022|5.650307|4.089691|3.682310|0.111318|2.862854|4.691344|3.503793|2.792834|4.740737|0.109163|0.092285|2.472820|2.135230|2.959920|2.315317|2.799697|15.854959|3.989656|4.427939|1.874309|1.693355|1.522760|1.494733|1.610949|1.818165|3.058798|2.151373|1.964187|1.990253|1.797782|1.635895|1.615733|1.753944|3.380950|0.214728|0.500000| |5.646702|8.944135|17.686134|8.877899|5.643310|4.952478|6.977522|6.041571|0.199464|4.243132|6.919353|4.759505|3.642499|6.521518|0.142428|0.119901|2.970084|2.485460|3.410855|2.788158|3.579271|17.277093|4.314159|4.719628|1.997224|1.813498|1.611244|1.559801|1.667645|1.896258|3.171937|2.789366|2.452948|2.490055|2.168056|1.926480|1.901630|2.111926|3.896524|0.124261|0.216344|0.500000| |5.650752|4.955713|5.641929|8.890585|17.679334|8.930218|6.990207|5.158626|0.119740|4.047598|6.366971|5.005331|3.892294|7.353491|0.145695|0.186903|3.692103|2.851617|3.528234|2.609909|3.188177|17.810391|4.059346|5.200031|2.148173|1.888644|1.706831|1.712461|1.892652|2.151339|3.489520|2.967135|2.922869|3.217320|2.920911|2.510548|2.353907|2.507092|5.120577|0.124273|0.107589|0.123842|0.500000| |8.918515|5.647527|4.955448|5.630859|8.916723|17.727691|4.089471|3.451498|0.089359|2.800024|4.506512|3.598082|2.900981|5.032850|0.110646|0.114273|2.844875|2.354344|3.036619|2.211059|2.601334|16.271769|3.787934|4.819524|1.998056|1.754652|1.603132|1.627794|1.811302|2.039767|3.341143|2.229549|2.181117|2.306246|2.160737|1.949171|1.865842|1.960732|4.087993|0.214831|0.124145|0.107533|0.216074|0.500000| |3.971792|4.180975|5.586446|8.854377|7.261239|4.754966|17.549884|8.870133|0.173617|6.988102|11.123752|7.203490|4.839109|9.198684|0.153952|0.212659|4.043294|3.078934|3.792921|2.965601|3.761542|17.933552|4.145114|4.958405|2.130859|1.914264|1.713896|1.681172|1.816399|2.061573|3.419435|4.017522|3.785455|4.301992|3.578433|2.910133|2.721503|3.011158|5.699545|0.090439|0.096208|0.140796|0.222242|0.113200|0.500000| |3.948817|4.623763|6.847367|8.796149|5.749384|4.233043|17.591969|9.018271|0.217262|6.723529|11.907845|6.359478|4.230506|7.581232|0.137216|0.147980|3.361797|2.710106|3.510059|2.860871|3.659903|16.721814|4.013796|4.504461|1.972483|1.800793|1.609424|1.560421|1.663434|1.878558|3.183411|3.632981|3.220295|3.461739|2.898346|2.441298|2.342505|2.617992|4.834380|0.089997|0.109423|0.199357|0.147792|0.097946|0.304660|0.500000| |2.992070|2.963036|3.272139|3.767757|3.822554|3.351244|3.922759|4.826149|0.118796|4.488849|6.286697|7.714844|8.949696|10.423713|0.207350|0.223189|17.599532|8.981027|9.239607|5.587035|6.517271|43.135176|7.960199|14.254647|4.522375|3.556309|2.965071|2.918821|3.362625|4.317834|5.537183|4.522670|4.267388|3.860215|3.332772|3.150929|3.336321|3.873658|6.072473|0.074457|0.073401|0.084760|0.110549|0.088299|0.109492|0.090718|0.500000| |2.621404|2.616053|2.960925|3.514023|3.521202|2.976917|3.983929|4.840125|0.112536|5.207519|7.346521|9.923579|8.844427|9.119917|0.153082|0.210160|17.585993|8.813533|7.593576|4.943829|5.483653|30.984808|6.158125|8.525981|3.671732|3.119019|2.695125|2.642997|2.937449|3.516276|5.147294|6.249546|6.656342|5.826213|4.776936|4.421392|4.706514|5.718931|7.977231|0.065119|0.064910|0.077986|0.106904|0.078921|0.118589|0.093556|0.301095|0.500000| |2.185529|2.176926|2.351374|2.593684|2.605181|2.372705|2.750276|3.266392|0.084217|3.385720|5.103538|5.936186|5.460097|5.701432|0.111581|0.116913|8.884316|17.632428|12.407859|5.675905|4.889816|49.177846|8.288369|11.759538|6.597902|5.121047|4.172108|4.044710|4.614457|6.023057|7.332071|4.262114|4.277457|3.575562|3.240877|3.364062|3.897777|4.525339|6.516291|0.056189|0.055833|0.062935|0.075496|0.064050|0.077682|0.067760|0.223568|0.209624|0.500000| |2.087094|2.130827|2.362192|2.608806|2.526636|2.248163|2.902585|3.580951|0.092094|4.041465|6.088136|7.722540|6.432281|5.935660|0.109714|0.116801|8.756185|17.630552|12.618987|7.104355|5.671053|38.373187|7.505612|8.485954|4.777866|4.314255|3.558072|3.265022|3.429374|4.095302|6.180778|6.268633|5.972084|4.377221|3.739401|3.884211|4.821763|6.491819|7.136250|0.053161|0.054832|0.064646|0.073017|0.059667|0.081863|0.072697|0.174885|0.215794|0.305488|0.500000| |2.212555|2.369670|2.606108|2.652305|2.435386|2.238192|2.828822|3.633592|0.107096|3.701603|5.602447|6.042366|5.463173|5.660274|0.117658|0.098732|4.865323|5.686814|12.446156|17.692813|8.870469|49.151859|14.571064|9.086603|4.675847|4.467284|3.396496|2.910957|2.952050|3.581845|5.496980|4.107386|3.296725|2.760795|2.369794|2.322583|2.599625|3.146063|4.546938|0.056723|0.063148|0.074390|0.065858|0.057705|0.073426|0.072868|0.124638|0.108178|0.127238|0.145585|0.500000| |2.117306|2.250620|2.530455|2.672793|2.454742|2.195808|2.994303|3.917729|0.109518|4.433056|6.675500|8.048402|6.601303|6.012364|0.114733|0.106557|5.813363|7.187809|12.606838|17.604013|8.746391|38.280394|9.113874|7.750260|4.151829|4.011605|3.193148|2.782980|2.814843|3.332577|5.332630|6.093023|4.515628|3.495155|2.901529|2.857897|3.315838|4.302568|5.418519|0.053790|0.059046|0.072002|0.068051|0.056825|0.079795|0.077205|0.131821|0.132388|0.145697|0.215942|0.303952|0.500000| |2.728261|3.053228|3.622822|3.732812|3.178071|2.770864|4.268677|6.445653|0.207795|6.469813|8.877156|9.958394|8.792212|9.144793|0.177718|0.139570|5.471040|4.899339|7.619003|8.828807|17.569747|31.601829|8.023714|7.500895|3.235786|2.962422|2.450528|2.239029|2.340882|2.777508|4.376565|5.479415|3.930691|3.379301|2.741522|2.536140|2.728428|3.360428|4.867371|0.067372|0.079516|0.107022|0.084410|0.068842|0.104784|0.109169|0.135305|0.124179|0.107872|0.127968|0.212122|0.212346|0.500000| |3.062119|3.332553|3.780226|3.884551|3.470902|3.113003|4.039208|5.629871|0.169864|4.894875|6.789637|7.677992|8.818856|10.194419|0.242822|0.156629|6.507256|5.659821|9.456742|8.974420|17.548514|45.027939|11.075044|11.533602|4.019875|3.436988|2.764562|2.555549|2.756118|3.425337|4.888369|4.299575|3.462973|3.059276|2.575244|2.417017|2.585598|3.081422|4.713375|0.075949|0.085964|0.105524|0.091192|0.077717|0.100366|0.098243|0.183692|0.134817|0.127322|0.130855|0.220369|0.174212|0.302032|0.500000| |1.726127|1.763942|1.851560|1.904116|1.855474|1.766855|1.964352|2.292481|0.064127|2.335120|3.716611|3.712521|3.145728|3.583920|0.074570|0.068953|3.464958|4.590098|8.308196|4.871239|3.610803|47.445567|11.925602|8.034745|8.879979|17.748097|8.949118|5.681128|4.932813|5.617598|9.642615|2.738739|2.536381|2.182587|2.010132|2.084877|2.375599|2.673872|4.247808|0.045642|0.047266|0.051261|0.051408|0.047399|0.053206|0.050786|0.094282|0.084038|0.129171|0.120349|0.145320|0.125551|0.088354|0.099616|0.500000| |1.462773|1.471632|1.523985|1.572225|1.560417|1.504057|1.609961|1.812402|0.050072|1.849985|3.013687|2.869836|2.336423|2.778536|0.057377|0.055066|2.611735|3.253341|4.949711|3.047338|2.505823|27.838489|6.648415|5.683170|5.637900|8.877664|17.755156|8.940727|5.627870|4.933601|16.783013|2.156526|2.098199|1.855909|1.770601|1.877076|2.122247|2.271330|3.942264|0.039153|0.039533|0.041898|0.043663|0.041017|0.044264|0.041933|0.071960|0.067018|0.097676|0.088420|0.086732|0.082350|0.063134|0.069245|0.213325|0.500000| |1.688508|1.634781|1.659375|1.744468|1.809035|1.777081|1.734741|1.895340|0.051050|1.867866|3.000494|2.870382|2.409744|3.017860|0.063263|0.062449|2.889084|3.336111|4.508721|2.654741|2.406674|27.793572|5.815572|6.915596|5.639661|4.933815|5.624765|8.959074|17.755355|8.857671|16.771618|2.065777|2.093940|1.933950|1.890168|1.988369|2.156973|2.221769|4.256572|0.045602|0.043228|0.044232|0.051390|0.049839|0.048491|0.044179|0.085912|0.076020|0.111164|0.084052|0.071326|0.068801|0.059032|0.068974|0.107242|0.124443|0.500000| |2.141957|2.072236|2.115441|2.241466|2.328744|2.271051|2.208923|2.471691|0.066315|2.374080|3.695071|3.717985|3.338257|4.157809|0.089361|0.085688|4.220113|4.842097|6.621848|3.620967|3.336081|47.402403|8.468764|13.698477|8.915593|5.620623|4.933863|5.680619|8.913816|17.763633|9.629497|2.561122|2.530590|2.314890|2.192524|2.242239|2.425588|2.594941|4.652010|0.057065|0.054099|0.055810|0.065752|0.063015|0.061176|0.055009|0.135700|0.104549|0.167181|0.110058|0.094933|0.088652|0.078112|0.099008|0.123857|0.107260|0.212537|0.500000| |2.127407|2.273239|2.682763|3.001034|2.684212|2.272822|3.815309|4.830461|0.121326|7.708853|14.111614|12.694542|5.636419|6.063328|0.102544|0.114480|4.543590|4.145978|5.079798|4.373104|4.755810|20.409873|4.760777|4.929307|2.470984|2.354297|2.076748|1.939977|1.996906|2.241503|3.920072|17.636661|8.887044|6.626622|4.581401|4.016691|4.359834|6.020724|7.096883|0.052988|0.058407|0.077059|0.077081|0.058410|0.107831|0.103076|0.102073|0.130065|0.095716|0.131002|0.102197|0.143072|0.140237|0.105085|0.068391|0.054732|0.051529|0.062451|0.500000| |2.092907|2.208452|2.544170|2.811660|2.580967|2.231207|3.367022|4.365948|0.112258|5.906109|9.134915|12.404934|6.889373|6.284589|0.108981|0.117158|5.968334|6.124957|7.292265|6.339105|6.017664|26.164891|5.918913|6.035326|3.127005|2.980373|2.557794|2.343756|2.402972|2.745487|4.640469|17.644604|8.882743|5.578247|4.178961|4.001190|4.775911|7.317024|7.072862|0.052581|0.056950|0.071981|0.073872|0.057873|0.093961|0.087369|0.124721|0.160418|0.130398|0.216741|0.135602|0.235884|0.160657|0.125311|0.087460|0.066708|0.060771|0.075228|0.304673|0.500000| |2.338593|2.403732|2.834588|3.431129|3.244696|2.637282|4.496210|4.796010|0.107819|6.564771|12.028765|9.030799|4.764629|6.176346|0.101768|0.135648|4.411813|3.606780|4.102748|3.146443|3.560859|17.802569|4.008369|4.614900|2.220035|2.050900|1.855906|1.804622|1.910204|2.126054|3.689530|6.961795|8.883735|17.720753|8.979821|5.688203|4.950490|5.654109|9.641219|0.057664|0.059943|0.077347|0.100417|0.068905|0.149387|0.116341|0.104347|0.147312|0.089879|0.106630|0.075013|0.092384|0.097239|0.086619|0.057250|0.048369|0.050619|0.061154|0.184877|0.140198|0.500000| |1.969634|1.958376|2.199832|2.592214|2.615366|2.233444|3.051805|3.061595|0.073152|3.576429|6.446661|5.102525|3.202656|4.206137|0.074553|0.094723|3.337126|2.941183|3.331637|2.418296|2.575958|15.040438|3.361847|3.910873|1.980773|1.845611|1.722095|1.711529|1.812173|1.958470|3.568075|4.071102|5.609872|8.865317|17.744106|8.955928|5.648202|4.958943|16.743062|0.049791|0.049370|0.059067|0.082467|0.060726|0.099533|0.079837|0.083278|0.112606|0.078551|0.087072|0.059204|0.070367|0.068891|0.065322|0.050613|0.045104|0.048963|0.056316|0.107222|0.095885|0.214645|0.500000| 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