Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1OC[C@@H](C[NH+](CCCOC)Cc2[nH]c(=O)c3c(csc3n2)c4ccccc4F)O C35747397 RHF 6-31G(d) (6D,7F) Cc1ccccc1OC[C@@H](C[NH+](CCCOC)Cc2[nH]c(=O)c3c(csc3n2)c4ccccc4F)O C01[X(C27H31F1N3O4S1)] 195 C1 606 COCCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)C[C@H](COc1ccccc1C)O COCCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)C[C@H](COc1ccccc1C)O COCCC[NH+](C[C@@H](O)COc1ccccc1C)CC2=Nc3scc(c4ccccc4F)c3C(=O)N2 InChIKey=YTZJNUXCLHOXKD-LJQANCHMSA-O InChI=1S/C27H30FN3O4S/c1-18-8-3-6-11-23(18)35-16-19(32)14-31(12-7-13-34-2)15-24-29-26(33)25-21(17-36-27(25)30-24)20-9-4-5-10-22(20)28/h3-6,8-11,17,19,32H,7,12-16H2,1-2H3,(H,29,30,33)/p+1/t19-/m1/s1 InChI=1/C27H30FN3O4S/c1-18-8-3-6-11-23(18)35-16-19(32)14-31(12-7-13-34-2)15-24-29-26(33)25-21(17-36-27(25)30-24)20-9-4-5-10-22(20)28/h3-6,8-11,17,19,32H,7,12-16H2,1-2H3,(H,29,30,33)/p+1/t19-/m1/s1/fC27H31FN3O4S/h29,31H/q+1 Cc1ccccc1OC[C@@H](C[NH+](CCCOC)Cc2[nH]c(=O)c3c(csc3n2)c4ccccc4F)O C01[X(C27H31F1N3O4S1)] 195 C01 606 COCCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)C[C@H](COc1ccccc1C)O COCCC[NH](CC1=N[C@@H]2[C@H](C(=O)N1)C(=CS2)c1ccccc1F)C[C@H](COc1ccccc1C)O COCCC[NH](C[C@@H](O)COc1ccccc1C)CC2=N[C@H]3SC=C([C@H]3C(=O)N2)c4ccccc4F InChIKey=SRQLEHJZXJRPJE-KAZGAHJFSA-N InChI=1S/C27H33FN3O4S/c1-18-8-3-6-11-23(18)35-16-19(32)14-31(12-7-13-34-2)15-24-29-26(33)25-21(17-36-27(25)30-24)20-9-4-5-10-22(20)28/h3-6,8-11,17,19,25,27,31-32H,7,12-16H2,1-2H3,(H,29,30,33)/t19-,25+,27+/m1/s1 InChI=1/C27H33FN3O4S/c1-18-8-3-6-11-23(18)35-16-19(32)14-31(12-7-13-34-2)15-24-29-26(33)25-21(17-36-27(25)30-24)20-9-4-5-10-22(20)28/h3-6,8-11,17,19,25,27,31-32H,7,12-16H2,1-2H3,(H,29,30,33)/t19-,25+,27+/m1/s1/f/h29H 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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| 8.6351 13.2975 14.8000 21.4615 23.7896 36.5316 39.1463 47.1929 55.4748 67.8964 71.7542 80.4301 103.0715 107.0810 125.7112 127.3369 131.3262 148.9592 162.3196 168.5138 180.4570 182.4092 198.3084 201.5651 209.8497 236.9255 242.1631 269.0671 275.2092 290.6634 305.7771 314.5560 325.8224 343.6937 353.7728 358.4058 394.0787 428.0785 455.0508 462.2219 480.5854 483.6600 493.2164 505.6772 514.5390 533.4000 549.0094 561.0139 566.1657 577.7947 592.6085 601.4424 614.0356 615.0167 629.4486 645.7130 651.9858 688.3394 696.1240 719.9251 741.0488 769.2045 793.3695 794.2218 819.7049 822.0404 838.7422 853.4142 860.6761 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3235.4529 3250.5770 3257.2121 3260.3550 3269.2712 3272.4613 3276.8818 3285.6682 3295.4987 3332.7019 3333.4620 3337.0035 3362.4325 3367.0297 3372.3466 3376.3990 3383.1732 3392.2667 3396.8246 3401.6339 3407.4381 3446.0565 3568.7128 3826.5143 4068.1159 6.2097 9.0373 4.2450 4.5242 4.6619 7.1315 5.6973 1.8347 6.2968 4.5569 6.3939 4.6671 3.5187 4.5999 5.1409 2.7548 2.6174 7.3486 1.1066 4.8004 3.1315 5.9564 4.1756 3.7625 3.3007 1.4663 2.8900 4.3629 5.6651 6.4504 3.9374 3.4763 7.2824 3.5432 4.9119 3.9058 5.0881 5.4299 3.1575 1.0995 5.1042 3.6206 2.9316 5.1688 3.6095 4.4814 3.8014 5.0184 3.2970 5.4601 3.8739 3.4890 5.0414 4.6131 4.7583 2.6390 3.0186 4.7963 6.6901 4.1070 4.9322 2.7113 5.4641 2.8122 2.9898 1.2362 4.6081 1.3489 1.2941 9.0384 5.4024 4.8970 4.9467 1.4387 2.1802 1.4448 1.3462 1.5157 3.4262 3.9712 2.3193 5.6530 1.5266 1.8165 1.3723 3.2998 1.6015 3.0916 1.3227 1.3227 2.7404 2.7012 2.1709 3.5165 2.5127 2.8309 1.4961 3.2487 2.6049 3.3744 2.6417 1.8950 2.4120 1.9249 1.9854 2.0435 1.8051 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0.3103 0.0061 0.1628 0.1100 0.3658 2.8182 0.2813 4.4590 0.4505 0.9224 0.1276 1.0433 2.2524 3.2063 5.9650 3.1399 3.9054 0.0649 0.6405 3.3860 0.4514 6.1772 2.4403 1.5812 2.2671 4.3613 0.1456 1.5776 0.4373 0.6366 2.1179 0.9315 4.3229 5.9484 0.8080 2.2025 10.0911 11.4865 9.0516 135.2042 2.6439 4.2660 1.4440 8.1838 1.2286 3.8339 1.4672 11.0661 6.9726 4.9830 1.2768 0.1325 4.4081 1.6770 6.3438 35.9170 28.5961 8.5709 11.9646 2.6008 8.9345 42.1314 7.6543 1.0658 4.0372 5.0553 11.2506 71.2065 89.9319 34.7985 9.0785 20.1514 16.5963 18.5348 7.0088 11.9613 0.2140 3.0561 35.4641 28.7471 18.7208 43.7057 4.9121 28.4538 1.0668 32.1426 8.3633 25.0510 0.0892 0.1130 18.1065 7.2246 0.0784 20.2475 3.0138 37.4608 0.7667 17.9297 50.8284 46.1115 8.3214 19.3144 19.4094 6.7263 39.8441 18.4815 18.5282 184.9439 15.6162 53.6355 45.6448 1.7565 53.2008 18.8050 14.3991 4.9716 23.3916 72.7804 28.6076 156.4810 125.4757 118.6360 43.9862 40.6041 48.4190 6.0232 8.0219 19.5254 7.0250 51.2071 47.6697 23.7744 13.5312 12.1487 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4614.48 4646.32 4655.10 4676.86 4686.40 4690.92 4703.75 4708.34 4714.70 4727.34 4741.49 4795.01 4796.11 4801.20 4837.79 4844.40 4852.05 4857.89 4867.63 4880.72 4887.27 4894.19 4902.54 4958.11 5134.58 5505.50 5853.11 0.593401 0.625968 0.626912 0.522423 -1999.439715 -1999.407148 -1999.406204 -1999.510693 3.504578D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE Cc1ccccc1OC[C@@H](C[NH+](CCCOC)Cc2[nH]c(=O)c3c(csc3n2)c4ccccc4F)O C35747397 RHF 6-31G(d) (6D,10F) C1 512.201932 |X|Y|Z| 134.931704 91.873151 40.118120 79.228433 27 6 7 8 16 22 3 1 1 |36.858105| |12.621750|36.858105| |7.539604|13.774498|36.858105| |4.996651|7.863678|13.705934|36.858105| |4.425662|6.815337|7.971419|13.830131|36.858105| |5.007897|7.860791|6.902742|7.939374|13.699073|36.858105| |7.541532|13.640878|8.012457|6.896137|7.959076|13.798580|36.858105| |6.917096|8.145705|5.291116|4.609889|5.186841|7.869937|13.888136|73.516695| |4.601522|5.241059|3.990737|3.792080|4.512130|6.725489|7.942417|24.334220|36.858105| |4.084709|4.125140|3.224508|2.990363|3.347375|4.417654|5.251233|14.673432|12.521264|36.858105| |4.234869|4.097946|3.191461|2.906269|3.174568|4.078788|4.964063|13.398641|8.984258|17.554813|0.500000| |3.081188|3.162099|2.627905|2.526626|2.855489|3.603841|3.893188|9.188265|7.563347|12.448428|0.244598|36.858105| |2.729901|2.697039|2.279894|2.171011|2.383971|2.884203|3.140130|7.098120|5.005265|7.618458|0.179270|12.695114|53.358707| |2.850151|2.789875|2.346453|2.217711|2.419167|2.923755|3.223689|7.309497|4.984188|7.411462|0.165733|9.471514|25.486913|0.500000| |2.678266|2.556023|2.163369|2.028629|2.178453|2.586819|2.872660|6.425670|4.189415|6.226100|0.177520|7.570105|17.219816|0.256359|36.858105| |2.436323|2.281723|1.959409|1.828918|1.931272|2.240832|2.485765|5.378485|3.322817|4.509633|0.126228|4.980093|10.338789|0.205797|12.497384|36.858105| |2.299483|2.116145|1.834465|1.701536|1.770702|2.021565|2.248986|4.761532|2.835007|3.660056|0.108398|3.807583|6.712892|0.131710|7.552140|12.488732|36.858105| |2.080796|1.912089|1.679860|1.561132|1.612508|1.815445|2.004720|4.151423|2.434858|3.016285|0.086905|3.112438|5.353205|0.110123|5.147732|8.155808|13.762843|73.516695| |1.927872|1.761994|1.564361|1.452119|1.486448|1.653183|1.820510|3.704086|2.136576|2.566985|0.075045|2.600623|4.230596|0.086166|3.919473|5.229053|8.123164|24.169730|36.858105| |2.274021|2.283579|1.988361|1.930901|2.127123|2.509813|2.629881|5.620192|3.888320|5.000416|0.122305|7.737685|17.415969|0.260753|7.653285|6.061087|4.218293|6.358123|2.869013|36.858105| |2.187365|2.223165|1.957578|1.918931|2.121389|2.481372|2.557645|5.335551|3.641490|4.338094|0.102468|5.964079|10.538886|0.219999|5.114466|4.655206|3.414024|5.490488|2.523866|12.599198|36.858105| |1.914736|1.962418|1.762238|1.749467|1.933300|2.215196|2.234796|4.514723|3.019420|3.397609|0.082912|4.425346|7.018603|0.141171|3.909754|3.671571|2.880534|4.758153|2.249069|7.802999|14.134978|53.358707| |1.804297|1.848348|1.668316|1.660338|1.831985|2.085877|2.096013|4.208845|2.804116|3.144580|0.078589|4.110731|6.427367|0.122927|3.768676|3.508974|2.822216|4.644093|2.217978|7.313437|9.273928|25.938773|0.500000| |1.787696|1.841697|1.676362|1.676059|1.845986|2.081032|2.076471|4.097467|2.673304|2.890380|0.070863|3.514066|5.295140|0.111385|3.104461|3.011123|2.449649|4.157968|2.003225|5.031205|7.803514|18.360969|0.259742|36.858105| |1.615401|1.666668|1.533986|1.542333|1.692687|1.882077|1.862979|3.622443|2.333283|2.484387|0.062101|2.965877|4.380060|0.090232|2.682914|2.617168|2.195776|3.760799|1.843177|4.070608|5.456544|11.550230|0.220100|16.044631|73.516695| |1.911180|1.968964|1.788360|1.782138|1.957908|2.209716|2.216045|4.364215|2.811492|3.006245|0.072484|3.500314|5.213022|0.116375|3.032910|2.982769|2.416605|4.135715|1.988924|4.504111|7.008153|10.930182|0.161804|13.064912|14.147352|36.858105| |1.791966|1.850885|1.706477|1.709470|1.863245|2.062047|2.052618|3.946357|2.470731|2.565816|0.062744|2.848339|4.119602|0.091887|2.506615|2.498775|2.092220|3.638151|1.783155|3.368581|4.596888|6.864697|0.114785|7.271018|10.838751|13.164538|36.858105| |1.915200|1.971091|1.815199|1.807123|1.955298|2.160146|2.169619|4.155190|2.551261|2.629595|0.064022|2.811936|4.035875|0.092491|2.475959|2.488583|2.090893|3.652383|1.792337|3.132070|4.114261|5.604843|0.095194|5.132570|7.696231|8.291148|14.152703|36.858105| |2.276934|2.318663|2.082208|2.036752|2.204572|2.498323|2.576748|5.083921|3.132996|3.312965|0.078547|3.478724|5.070679|0.123405|3.017609|3.031297|2.468763|4.261679|2.049412|3.734618|4.953777|5.970765|0.099059|4.825341|6.828956|7.420355|7.358242|10.990141|388.023441| |2.186784|2.236089|1.994017|1.961684|2.154357|2.477961|2.536383|5.119722|3.321596|3.650329|0.085583|4.216917|6.437000|0.154479|3.576907|3.509986|2.747242|4.649093|2.194696|5.229823|8.516199|9.872312|0.145938|7.859971|9.521206|13.975235|8.138160|7.777567|78.835257|36.858105| |2.380956|2.411396|2.106519|2.049641|2.258001|2.656116|2.773153|5.824796|3.913187|4.636133|0.105925|5.781784|9.758775|0.250494|4.807455|4.545341|3.333467|5.447694|2.501375|7.964835|15.007935|11.193953|0.164866|6.645833|8.370892|7.812260|5.194783|5.009761|49.988207|13.842932|53.358707| |1.583436|1.639951|1.533168|1.547981|1.680800|1.829518|1.802207|3.410205|2.114422|2.168346|0.054014|2.394356|3.418651|0.074182|2.142730|2.137142|1.835179|3.211584|1.600146|2.809200|3.604112|5.625213|0.100730|5.884731|10.619842|7.287319|12.823546|7.643192|33.674532|5.062539|5.163304|36.858105| |1.460732|1.499281|1.409327|1.416558|1.519809|1.638017|1.624501|3.058619|1.864926|1.920678|0.048494|2.087550|3.007984|0.065260|1.936312|1.967278|1.717153|3.050995|1.534381|2.438483|3.008876|4.581495|0.084458|4.435386|8.210113|5.152562|7.590630|6.039578|28.365154|4.010150|4.302446|13.706154|36.858105| |1.329420|1.367384|1.296309|1.309290|1.400975|1.495061|1.473978|2.750090|1.668121|1.704695|0.043467|1.845090|2.631160|0.056298|1.718906|1.739595|1.542200|2.742415|1.395488|2.126517|2.540464|3.879384|0.073838|3.605722|6.982820|3.880058|5.035371|4.265262|22.105235|3.146405|3.550365|7.887791|13.753676|36.858105| |1.297423|1.345328|1.280991|1.304176|1.403635|1.493021|1.456792|2.703186|1.648716|1.668171|0.042573|1.815415|2.550873|0.053930|1.662270|1.657961|1.473768|2.596582|1.325543|2.071650|2.452616|3.798951|0.073495|3.511487|7.037231|3.616025|4.457416|3.716133|20.015768|2.924173|3.364830|6.831137|7.950157|13.756754|36.858105| |1.379324|1.442404|1.370358|1.403184|1.525994|1.631872|1.578823|2.932595|1.810923|1.819844|0.046093|2.003130|2.782050|0.058529|1.784395|1.752753|1.543892|2.689087|1.365234|2.280572|2.738327|4.324283|0.083335|4.102110|8.371796|4.152606|5.043856|4.000659|21.583682|3.256302|3.722584|7.866074|6.873452|7.928524|13.746762|36.858105| |1.525876|1.597512|1.503848|1.535242|1.680135|1.819394|1.765051|3.309945|2.066757|2.086094|0.052136|2.319963|3.233885|0.068702|2.028666|1.984747|1.718382|2.977191|1.494108|2.673812|3.346704|5.355222|0.099342|5.458875|10.750911|5.836868|7.628378|5.358101|27.280039|4.238839|4.611467|13.758021|8.029496|6.943309|8.022605|13.857732|36.858105| |1.626291|1.722289|1.616931|1.663145|1.846036|2.015104|1.931175|3.624561|2.304462|2.297520|0.056862|2.593640|3.530882|0.074257|2.171186|2.075148|1.782821|3.042725|1.521524|2.937855|3.708216|5.994754|0.110765|6.001359|11.368526|6.147047|6.842314|5.004633|27.761758|4.530274|5.029025|8.162306|5.312638|4.675201|5.311816|8.179486|14.310716|97.533100| |4.178154|3.996067|3.129328|2.842556|3.083445|3.915725|4.752883|12.449573|7.912731|13.638189|0.259004|8.134144|9.977838|0.248359|6.063917|4.961703|3.893796|5.859950|2.748889|4.816740|4.466949|4.649653|0.085487|2.968331|4.473225|3.214760|2.761514|2.916381|27.656694|4.091919|7.111709|2.284286|2.036539|1.784839|1.720317|1.858630|2.145026|5.223178|73.516695| |17.558630|8.834075|5.849598|4.274740|3.964377|4.596339|6.727688|12.463756|4.761369|4.410058|0.135057|3.266699|3.924855|0.082240|2.904906|2.604179|2.490542|3.941799|2.060094|2.368439|2.226197|2.640549|0.051122|1.788518|2.874991|1.888509|1.751275|1.851107|15.625551|2.157890|3.252838|1.549492|1.429089|1.302094|1.272275|1.353249|1.495697|3.591037|7.727461|0.500000| |17.538466|8.830230|5.896423|4.292771|3.963399|4.571640|6.653577|12.181901|4.671118|4.327676|0.120919|3.227060|3.972564|0.086775|2.842585|2.626627|2.448396|3.963744|2.044516|2.405077|2.337368|2.755102|0.052493|1.893785|3.018702|2.050923|1.923747|2.081142|17.963212|2.382440|3.531169|1.682024|1.552282|1.402538|1.359472|1.442063|1.604627|3.831151|8.495326|0.302253|0.500000| |17.598374|8.884470|7.266615|4.751003|3.970981|4.171515|5.575332|8.863581|3.656002|3.322592|0.095864|2.625174|3.234771|0.068749|2.356423|2.185289|2.096519|3.421399|1.808198|2.020422|1.953377|2.357338|0.045530|1.630851|2.640907|1.740429|1.649058|1.763456|14.676974|1.968274|2.878291|1.471012|1.367968|1.252049|1.221507|1.291601|1.418514|3.379512|6.075103|0.301635|0.302088|0.500000| |7.012715|8.975933|17.714516|8.925928|5.667855|4.967204|5.680285|7.596406|3.332077|2.826748|0.078731|2.339578|2.825780|0.059449|1.999117|1.838288|1.742947|2.862034|1.512869|1.822267|1.793577|2.209226|0.042799|1.550372|2.534360|1.652481|1.586974|1.690924|13.695614|1.833257|2.622174|1.434040|1.329269|1.227057|1.209525|1.285485|1.402727|3.365292|4.969479|0.151535|0.153446|0.224232|0.500000| |4.082359|5.620405|8.900114|17.733082|8.927111|5.641772|4.965279|6.504932|3.133608|2.559876|0.069443|2.217515|2.635778|0.054860|1.820482|1.658372|1.554000|2.554454|1.345356|1.746635|1.742721|2.186465|0.042513|1.550698|2.556661|1.644632|1.591947|1.680166|13.257383|1.790304|2.520872|1.456230|1.340537|1.247116|1.245000|1.334856|1.449125|3.515609|4.363100|0.099068|0.099594|0.113229|0.215501|0.500000| |3.541519|4.922732|5.653186|8.926112|17.726298|8.928663|5.663397|7.447101|3.914731|2.986021|0.078355|2.649567|3.029960|0.062387|2.024746|1.800832|1.651337|2.685372|1.395191|2.027653|2.037737|2.565432|0.049822|1.814177|2.981052|1.914025|1.833235|1.909612|15.009687|2.074184|2.925556|1.671202|1.508831|1.399431|1.412612|1.541893|1.688565|4.195550|4.879524|0.090318|0.090296|0.090387|0.124339|0.214394|0.500000| |4.079343|5.601878|4.970189|5.662185|8.940687|17.751245|8.882108|12.545579|7.486010|4.690457|0.116319|4.005100|4.221066|0.086270|2.707698|2.310333|2.056570|3.268533|1.662937|2.732080|2.712726|3.305077|0.063509|2.269952|3.639670|2.393412|2.209850|2.286434|18.705220|2.671432|3.912814|1.956823|1.731492|1.577957|1.585779|1.751444|1.964234|4.971811|7.104866|0.108138|0.107417|0.095850|0.107812|0.124386|0.216893|0.500000| |4.080439|4.756090|3.806302|3.749153|4.584032|6.734351|6.999317|16.484797|17.536261|8.819129|0.215529|6.839717|6.121993|0.118136|3.879630|3.046552|2.656873|4.046310|2.022021|3.668871|3.364196|3.912963|0.075806|2.537070|4.000923|2.599789|2.290337|2.322661|19.572053|2.972162|4.706844|1.997154|1.763654|1.594075|1.590613|1.753251|1.982303|5.005924|10.127711|0.119899|0.109753|0.092875|0.088402|0.086839|0.113283|0.224569|0.500000| |4.068992|4.746526|3.800055|3.747025|4.589579|6.760575|7.004247|16.533962|17.546967|8.862947|0.174883|6.934865|6.545480|0.138016|3.819625|3.132830|2.634154|4.106357|2.020379|3.928197|3.912732|4.429919|0.082358|2.931946|4.500168|3.153162|2.773607|2.884277|25.451693|3.764888|5.898053|2.342553|2.036720|1.808607|1.790432|1.984617|2.293048|5.828357|12.691853|0.111282|0.117751|0.092427|0.088227|0.086784|0.113496|0.227003|0.299182|0.500000| |2.860254|2.951326|2.493066|2.419693|2.736957|3.400577|3.593843|8.137690|6.411540|8.747575|0.220642|17.614270|12.317109|0.182421|6.999866|4.538953|3.668972|5.275009|2.527857|6.899055|5.053825|5.517833|0.109975|3.218836|4.976107|3.093250|2.553286|2.483037|20.946289|3.542788|6.250583|2.204031|1.935035|1.733891|1.721605|1.900018|2.169590|5.465996|10.370626|0.085541|0.081053|0.068528|0.061905|0.059414|0.071305|0.105559|0.186219|0.157141|0.500000| |2.910157|3.077624|2.604040|2.559045|2.950060|3.726072|3.846695|8.659225|7.285219|8.832976|0.174521|17.637834|12.496555|0.226442|5.593861|4.174803|3.243824|4.913700|2.333664|7.494988|6.833166|6.894290|0.126528|4.033458|5.926778|4.054313|3.233221|3.159934|27.784663|4.913990|9.124749|2.678938|2.284378|2.004866|1.984176|2.222713|2.616505|6.741661|12.206200|0.083335|0.084818|0.069384|0.064010|0.062536|0.077163|0.119160|0.183301|0.219543|0.299974|0.500000| |3.071186|2.871764|2.381829|2.197706|2.344362|2.812534|3.217398|7.426583|4.709907|7.448359|0.242409|7.439925|12.406461|0.213365|17.687922|8.880955|6.917411|8.437946|3.790556|5.646382|4.219678|4.522049|0.088542|2.738972|4.250270|2.734068|2.315571|2.326139|20.246632|3.228049|5.683051|1.989654|1.805627|1.611069|1.560925|1.672531|1.890918|4.556412|12.481272|0.094878|0.090369|0.074041|0.061023|0.054339|0.059715|0.080547|0.119660|0.113337|0.191690|0.147678|0.500000| |2.434274|2.353660|2.022109|1.916885|2.064673|2.427198|2.641728|5.755446|3.771061|5.197281|0.152640|6.621573|12.376096|0.181244|17.596543|8.723463|6.759961|8.343358|3.745881|7.315355|4.694258|5.171632|0.106213|2.988691|4.689908|2.824082|2.342517|2.274702|19.055564|3.203619|5.660430|2.041140|1.847519|1.657400|1.616390|1.738584|1.959172|4.734232|8.365109|0.073585|0.070349|0.060119|0.052010|0.048089|0.053821|0.071111|0.101762|0.095564|0.198049|0.140994|0.301946|0.500000| |2.171683|2.065800|1.800494|1.700617|1.802383|2.071862|2.253308|4.770776|2.976071|3.859270|0.105015|4.474557|9.280118|0.183740|8.759383|17.576489|8.974927|13.450509|4.939276|6.603913|5.117600|5.601472|0.110393|3.319201|5.131101|3.206746|2.647489|2.586017|21.945437|3.695960|6.475538|2.270063|2.093888|1.846219|1.753310|1.849530|2.097272|4.899501|7.415699|0.063657|0.064719|0.054594|0.046989|0.043119|0.047153|0.059814|0.076769|0.079916|0.115017|0.109561|0.173143|0.207977|0.500000| |2.601585|2.406370|2.052927|1.900036|1.994864|2.317152|2.602634|5.659683|3.422146|4.631645|0.125877|4.791108|9.501629|0.222880|8.871725|17.562218|8.928852|13.167488|4.894024|5.381967|4.581684|4.849810|0.091739|3.011283|4.601562|3.102584|2.626061|2.678955|24.007956|3.772020|6.603454|2.212049|2.041588|1.789228|1.690231|1.779866|2.026412|4.737704|10.008591|0.076369|0.079669|0.064637|0.053585|0.047736|0.051356|0.065761|0.084663|0.090671|0.115493|0.114566|0.213370|0.172595|0.302733|0.500000| |2.530421|2.280053|1.958328|1.793682|1.851264|2.116897|2.395689|5.108490|2.965687|3.841014|0.118326|3.760943|6.230321|0.123777|6.854767|8.811604|17.480093|16.556758|7.262464|3.739287|3.088679|3.549736|0.070551|2.249640|3.591346|2.250063|1.972467|1.994285|16.836490|2.570937|4.200330|1.732416|1.621259|1.460517|1.399130|1.466419|1.628207|3.812138|7.278916|0.077384|0.074820|0.063986|0.051853|0.045351|0.047563|0.059136|0.076888|0.075066|0.100670|0.087948|0.205984|0.166538|0.174393|0.214032|0.500000| |2.136998|1.991820|1.741596|1.628828|1.701124|1.933745|2.124649|4.449967|2.677896|3.390648|0.101483|3.633273|6.214098|0.116071|6.905784|8.803385|17.469313|16.563719|7.230179|4.108588|3.245110|3.821122|0.078242|2.370766|3.828306|2.288271|1.979956|1.952806|16.058334|2.545729|4.170079|1.758574|1.644752|1.489188|1.433399|1.504607|1.664346|3.898288|6.103330|0.064519|0.062198|0.054354|0.045944|0.041471|0.044339|0.054968|0.071350|0.068961|0.101483|0.086181|0.171730|0.202370|0.212000|0.173787|0.301174|0.500000| |1.796712|1.647313|1.474170|1.372294|1.400971|1.547216|1.694201|3.409824|1.959769|2.314710|0.066654|2.346670|3.788251|0.078331|3.347798|4.391600|5.873465|16.889063|17.648972|2.623445|2.374176|2.918695|0.058591|1.940145|3.191845|1.935496|1.753687|1.766823|14.229739|2.119280|3.225839|1.581951|1.531787|1.395427|1.318283|1.347867|1.469506|3.337723|4.446328|0.052752|0.053086|0.047132|0.039750|0.035474|0.036643|0.043190|0.051441|0.052058|0.062977|0.059524|0.089343|0.088608|0.120525|0.119090|0.147408|0.147141|0.500000| |2.043305|1.839905|1.628653|1.498697|1.522774|1.691131|1.880487|3.824732|2.169075|2.596342|0.077103|2.555161|4.050728|0.082895|3.750098|4.745977|7.206207|16.444483|17.532446|2.675322|2.363946|2.854390|0.057169|1.878600|3.069731|1.882946|1.700026|1.723556|14.086839|2.089100|3.230324|1.525003|1.460718|1.330728|1.266724|1.306066|1.427892|3.281258|4.953541|0.061115|0.060162|0.053448|0.043960|0.038539|0.039501|0.046863|0.056917|0.056450|0.068958|0.063351|0.105571|0.098382|0.118235|0.127864|0.215791|0.174314|0.299743|0.500000| |1.816889|1.676416|1.496089|1.397200|1.434506|1.591614|1.738675|3.519429|2.045976|2.439638|0.071743|2.510521|4.039040|0.080277|3.753342|4.733997|7.207888|16.442518|17.530071|2.796526|2.427085|2.984644|0.060947|1.943944|3.208685|1.901362|1.701502|1.693098|13.590846|2.070938|3.209265|1.540050|1.475256|1.350172|1.290114|1.330916|1.449802|3.330672|4.521730|0.054110|0.052923|0.047399|0.040149|0.036042|0.037561|0.044659|0.054505|0.053636|0.069154|0.062587|0.099861|0.104397|0.127831|0.117132|0.175554|0.214754|0.299722|0.299097|0.500000| |2.101411|2.079238|1.824385|1.763116|1.915807|2.223662|2.342510|4.935756|3.275458|4.151137|0.106816|5.686676|12.317337|0.205253|7.621576|6.984615|4.787931|7.284148|3.211674|17.640276|8.954036|9.251384|0.189960|4.619140|6.903043|4.070191|3.126539|2.902040|24.046867|4.555763|8.616520|2.660451|2.362728|2.073015|2.004729|2.173148|2.510574|6.051122|7.338542|0.061018|0.061728|0.052441|0.046936|0.044629|0.050783|0.066215|0.086457|0.090551|0.149228|0.147431|0.149229|0.213861|0.244493|0.160088|0.111640|0.131957|0.081397|0.080988|0.087675|0.500000| |2.193910|2.235908|1.961796|1.926360|2.142158|2.524616|2.596275|5.475674|3.855681|4.737101|0.118326|7.577237|12.331445|0.184325|6.380733|4.858234|3.702728|5.570695|2.602688|17.612940|8.825345|9.657017|0.208083|4.684477|7.053872|4.029041|3.091917|2.839406|23.157006|4.404749|8.149795|2.657265|2.300033|2.039055|2.020819|2.246686|2.605053|6.561144|7.524143|0.063730|0.063399|0.054259|0.049775|0.048493|0.057209|0.077440|0.105692|0.107440|0.218887|0.209490|0.140208|0.191918|0.142715|0.118797|0.093154|0.104249|0.066057|0.067958|0.071837|0.302465|0.500000| |1.833634|1.887453|1.758548|1.754878|1.882473|2.048027|2.050460|3.862408|2.325498|2.361996|0.058202|2.470579|3.500606|0.079478|2.200535|2.221082|1.904074|3.350013|1.665137|2.670675|3.345934|4.560741|0.080116|4.045874|6.406948|5.712120|8.809624|17.791692|55.386875|5.456425|5.380124|6.743480|6.043895|4.386771|3.743729|3.883949|4.908984|9.946138|4.645080|0.048889|0.055294|0.047320|0.045793|0.045663|0.051243|0.059629|0.059072|0.072561|0.061289|0.076044|0.058139|0.056425|0.063619|0.066451|0.050838|0.049470|0.045838|0.044713|0.043687|0.069509|0.068142|0.500000| |1.477528|1.503257|1.408865|1.405433|1.497592|1.615583|1.618406|3.059001|1.850109|1.923047|0.048667|2.071400|3.024391|0.066338|1.963039|2.026584|1.770427|3.178886|1.596352|2.425369|2.977479|4.409700|0.080800|4.125785|7.331008|4.932309|7.031544|6.292526|29.903942|4.046878|4.340494|8.942047|17.723198|8.921086|5.652096|4.952738|5.689493|9.615315|3.677591|0.040127|0.043868|0.038496|0.037042|0.036912|0.041041|0.047090|0.048255|0.055835|0.053026|0.062310|0.050867|0.051637|0.060009|0.058992|0.046377|0.046771|0.044537|0.042160|0.042376|0.065914|0.062639|0.180149|0.500000| |1.259575|1.288870|1.225222|1.233858|1.311354|1.392813|1.378837|2.566790|1.543814|1.581135|0.040594|1.697270|2.428527|0.051954|1.607709|1.640735|1.468893|2.632300|1.348278|1.945979|2.283346|3.433185|0.065934|3.084673|5.902743|3.294232|4.103269|3.673893|19.829782|2.773960|3.194298|5.628329|8.924677|17.734861|8.908991|5.640933|4.989793|8.324692|2.951376|0.034275|0.036908|0.033102|0.032370|0.032748|0.036334|0.040578|0.040994|0.046160|0.044434|0.050701|0.041988|0.043087|0.048335|0.046929|0.038683|0.039398|0.037654|0.035722|0.036226|0.053185|0.051750|0.107061|0.215349|0.500000| |1.212061|1.256376|1.202393|1.226241|1.315218|1.389822|1.353953|2.499629|1.516534|1.529923|0.039315|1.656392|2.318282|0.048734|1.527119|1.523226|1.367441|2.413167|1.240964|1.872107|2.171775|3.334219|0.065482|2.979926|5.959257|3.013656|3.561948|3.083482|17.291598|2.512620|2.960995|4.931181|5.649846|8.912794|17.729571|8.937701|5.688519|9.619690|2.791289|0.033042|0.035142|0.031826|0.031636|0.032659|0.036870|0.040885|0.040855|0.045464|0.043953|0.049927|0.039985|0.041451|0.044637|0.042986|0.036143|0.037086|0.034333|0.032988|0.033654|0.050578|0.051056|0.087043|0.124197|0.214502|0.500000| 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