Version2.0 2020-08-03T20:46:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1NC(=O)CSC2=NN[C@H](N2Cc3ccccc3)C4=CC5=C(C(=N[C@@H]5C=C4)C)C)C C63730196 RHF 6-31G(d) (6D,7F) Cc1cccc(c1NC(=O)CSC2=NN[C@H](N2Cc3ccccc3)C4=CC5=C(C(=N[C@@H]5C=C4)C)C)C C01[X(C29H31N5O1S1)] 195 C1 606 O=C(Nc1c(C)cccc1C)CSC1=NN[C@H](N1Cc1ccccc1)C1=CC2=C(C)C(=N[C@@H]2C=C1)C O=C(Nc1c(C)cccc1C)CSC1=NN[C@H](N1Cc1ccccc1)C1=CC2=C(C)C(=N[C@@H]2C=C1)C Cc1cccc(C)c1NC(=O)CSC2=NN[C@H](N2Cc3ccccc3)C4=CC5=C(C)C(=N[C@@H]5C=C4)C InChIKey=ITNRFCNBRKVODC-LEAFIULHSA-N InChI=1S/C29H31N5OS/c1-18-9-8-10-19(2)27(18)31-26(35)17-36-29-33-32-28(34(29)16-22-11-6-5-7-12-22)23-13-14-25-24(15-23)20(3)21(4)30-25/h5-15,25,28,32H,16-17H2,1-4H3,(H,31,35)/t25-,28-/m1/s1 InChI=1/C29H31N5OS/c1-18-9-8-10-19(2)27(18)31-26(35)17-36-29-33-32-28(34(29)16-22-11-6-5-7-12-22)23-13-14-25-24(15-23)20(3)21(4)30-25/h5-15,25,28,32H,16-17H2,1-4H3,(H,31,35)/t25-,28-/m1/s1/f/h31H Cc1cccc(c1NC(=O)CSC2=NN[C@H](N2Cc3ccccc3)C4=CC5=C(C(=N[C@@H]5C=C4)C)C)C C01[X(C29H31N5O1S1)] 195 C01 606 O=C(Nc1c(C)cccc1C)CSC1=NN[C@H](N1Cc1ccccc1)C1=CC2=C(C)C(=N[C@@H]2C=C1)C O=C(N[C]1[C]([CH][CH][CH][C]1C)C)CSC1=NN[C@H](N1C[C]1[CH][CH][CH][CH][CH]1)C1=CC2=C(C)C(=N[C@@H]2C=C1)C C[C]1[CH][CH][CH][C](C)[C]1NC(=O)CSC2=NN[C@H](N2C[C]3[CH][CH][CH][CH][CH]3)C4=CC5=C(C)C(=N[C@@H]5C=C4)C InChIKey=ITNRFCNBRKVODC-LEAFIULHSA-N InChI=1S/C29H31N5OS/c1-18-9-8-10-19(2)27(18)31-26(35)17-36-29-33-32-28(34(29)16-22-11-6-5-7-12-22)23-13-14-25-24(15-23)20(3)21(4)30-25/h5-15,25,28,32H,16-17H2,1-4H3,(H,31,35)/t25-,28-/m1/s1 InChI=1/C29H31N5OS/c1-18-9-8-10-19(2)27(18)31-26(35)17-36-29-33-32-28(34(29)16-22-11-6-5-7-12-22)23-13-14-25-24(15-23)20(3)21(4)30-25/h5-15,25,28,32H,16-17H2,1-4H3,(H,31,35)/t25-,28-/m1/s1/f/h31H 3758.7524574883 -1860.7833451 1-A 31021.8378 132 474 606 |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| -91.96439 -20.53772 -15.59705 -15.59211 -15.58474 -15.57429 -15.53485 -11.36424 -11.32969 -11.30673 -11.27619 -11.27570 -11.26873 -11.26835 -11.24883 -11.24572 -11.24512 -11.24270 -11.23793 -11.23763 -11.23468 -11.23232 -11.23172 -11.23029 -11.22928 -11.22914 -11.22884 -11.22818 -11.22740 -11.22693 -11.22680 -11.22527 -11.22514 -11.22111 -11.21984 -11.21581 -8.97434 -6.65717 -6.65566 -6.65358 -1.40707 -1.37599 -1.26250 -1.25611 -1.22327 -1.15531 -1.15196 -1.15184 -1.11847 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3216.2202 3244.5843 3254.5264 3256.6725 3266.0481 3277.5458 3281.4163 3282.4352 3289.3919 3291.8139 3316.7243 3317.2853 3346.1895 3355.1025 3358.3104 3360.0673 3367.5029 3368.8212 3378.7082 3379.8712 3383.2546 3389.4325 3406.8609 3806.3808 3852.0040 4.7835 5.4538 4.1947 4.8084 5.3609 4.9190 5.2582 3.9817 5.0356 6.9644 5.0014 5.0408 2.7882 3.7991 2.9287 1.4804 2.4842 3.3533 1.5275 1.2079 1.6901 1.1573 4.3438 4.1169 3.6398 3.2911 4.0877 3.1879 4.0845 5.6915 4.5295 4.0076 3.9132 3.4547 3.4249 3.3998 2.6703 4.6841 2.9205 1.2342 3.2415 4.2788 4.4281 3.3465 6.2528 3.9852 4.2235 3.2623 4.5828 4.9101 4.2984 4.6408 4.2204 3.3792 2.4603 6.0449 3.8657 4.4205 5.5044 6.1042 3.7196 5.6022 4.1180 2.1804 1.7693 2.8351 4.7909 2.5320 3.2596 1.7417 2.2656 3.6714 2.8972 2.0352 3.7855 1.2882 3.4006 2.6631 2.9502 2.1011 1.2982 1.6418 1.9574 2.3115 4.5318 1.6597 6.1856 1.3654 1.6134 1.3517 1.4554 2.1879 2.1991 1.4343 2.8071 2.5907 1.4622 2.4762 1.5629 1.5214 1.6593 1.9246 3.0916 2.1094 1.7736 2.5504 2.2527 2.3427 2.2311 1.1625 2.4299 1.1215 1.1794 2.3707 2.4189 1.7392 1.5996 1.9501 2.7034 2.2500 2.7846 2.0826 1.5067 1.9219 1.9858 1.6414 2.4613 1.3943 1.5091 3.9230 1.6403 1.5122 1.4929 1.4032 1.5279 1.2305 1.2674 1.3774 1.4617 1.1433 1.7572 1.0593 1.0468 2.0643 1.2532 1.0439 1.2158 1.0591 1.0664 1.0985 1.4369 1.3523 2.1958 2.0936 5.3019 8.3505 5.3669 6.4852 8.6399 5.2904 7.1101 9.8990 8.4905 10.0602 1.0836 1.0801 1.0728 1.0391 1.0426 1.0399 1.0369 1.1018 1.1011 1.0967 1.0598 1.1015 1.0919 1.1002 1.1023 1.1038 1.1005 1.1065 1.0879 1.0874 1.0888 1.0919 1.0926 1.0925 1.0892 1.0950 1.0979 1.0984 1.0975 1.0776 1.0779 0.0001 0.0002 0.0004 0.0008 0.0023 0.0032 0.0064 0.0054 0.0083 0.0194 0.0200 0.0230 0.0157 0.0322 0.0258 0.0142 0.0283 0.0411 0.0216 0.0185 0.0265 0.0199 0.1019 0.1110 0.1322 0.1221 0.1557 0.1399 0.1951 0.2906 0.2587 0.2697 0.2779 0.2491 0.2513 0.2514 0.2075 0.4526 0.3579 0.1516 0.4397 0.6036 0.6834 0.5382 1.0280 0.7224 0.7856 0.6397 0.9055 1.0159 0.8947 1.0270 1.0286 0.8555 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0.1947 0.4914 0.2928 0.2854 0.3347 0.1031 0.7884 0.4237 6.0898 0.6667 1.7860 0.5146 9.4351 0.4973 2.5055 0.1872 0.6066 0.5637 0.5051 0.3105 1.3495 0.2880 11.5057 3.0787 1.2814 0.9373 4.2614 2.8226 1.9869 4.9270 8.2562 6.1253 3.8541 1.2286 0.8350 1.3475 4.3549 2.4461 0.2851 91.5609 8.5289 3.3168 14.5256 7.3803 11.1467 5.5238 2.6497 0.5006 7.7491 2.3644 3.4362 4.2270 5.0911 4.0434 1.3195 1.5987 21.9861 14.2223 21.4049 23.8334 17.9524 7.8717 18.4522 38.5841 26.0438 12.3125 2.7252 8.3929 35.1030 16.2303 24.3672 21.2486 57.2311 39.2446 1.9001 1.0844 8.2004 24.9971 1.3050 27.1926 0.0774 22.9283 8.0632 12.8209 9.9049 14.1643 0.9114 0.2919 1.3860 0.2960 6.9633 23.9362 2.5547 0.0720 5.8527 12.2777 0.4085 18.7544 3.4329 1.8246 1.3058 3.2125 17.9737 30.5225 0.9069 4.2479 10.3546 3.8982 7.9176 2.5880 145.2105 0.3033 1.0203 5.8933 13.7411 72.1907 14.1905 68.5698 162.4270 18.9256 135.7500 9.7845 19.5483 26.0878 122.4615 11.1635 5.3784 17.0365 31.3368 5.0841 137.4739 26.5907 57.7321 21.2829 4.6215 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4611.18 4627.42 4668.23 4682.54 4685.63 4699.11 4715.66 4721.23 4722.69 4732.70 4736.19 4772.03 4772.83 4814.42 4827.24 4831.86 4834.39 4845.09 4846.98 4861.21 4862.88 4867.75 4876.64 4901.71 5476.53 5542.17 0.590332 0.622700 0.623644 0.519163 -1860.193013 -1860.160645 -1860.159701 -1860.264182 3.504310D-04 MUNgauss RevisionA2.0 retrievium 03-Aug-2020 DUDE Cc1cccc(c1NC(=O)CSC2=NN[C@H](N2Cc3ccccc3)C4=CC5=C(C(=N[C@@H]5C=C4)C)C)C C63730196 RHF 6-31G(d) (6D,10F) C1 497.224933 |X|Y|Z| 164.734003 49.367218 38.044788 67.635134 31 6 7 16 25 5 1 |36.858105| |12.606527|36.858105| |7.569242|13.725588|36.858105| |5.024202|7.916634|13.777604|36.858105| |4.437693|6.848308|7.952063|13.781886|36.858105| |4.986951|7.825501|6.829178|7.900541|13.713927|36.858105| |7.531150|13.664605|7.965535|6.907641|7.979576|13.669812|36.858105| |6.665251|7.846705|5.159054|4.550443|5.150360|7.805874|13.331647|53.358707| |5.188974|5.571940|4.094935|3.740038|4.226441|5.912081|7.730955|19.112076|36.858105| |4.576381|5.089452|3.986607|3.757994|4.285825|5.756100|6.705513|11.493702|15.926358|73.516695| |4.201961|4.113072|3.196640|2.929218|3.217371|4.155267|5.044608|10.789587|12.532769|14.175322|36.858105| |3.196574|3.147520|2.607093|2.452692|2.678990|3.275537|3.670666|6.525147|6.988990|11.840015|10.521981|388.023441| |2.731429|2.618682|2.212560|2.078611|2.233723|2.653400|2.947847|5.086717|4.666488|7.504379|7.067458|76.856618|36.858105| |2.788111|2.628141|2.209466|2.057974|2.194959|2.603077|2.929348|5.103335|4.387303|6.705909|6.744704|50.546855|15.152355|53.358707| |2.332153|2.207214|1.903553|1.789975|1.897223|2.197110|2.415780|4.014663|3.319527|5.282062|4.510779|35.138746|8.922754|18.389174|53.358707| |2.132228|2.029076|1.772117|1.676377|1.773149|2.030198|2.205716|3.581115|3.020341|5.016831|3.916741|34.380900|8.472216|11.210960|17.788499|36.858105| |2.112541|1.980595|1.734773|1.628895|1.703541|1.933262|2.116734|3.399054|2.848652|4.771572|3.608945|31.195290|6.849309|9.128997|12.171767|17.382410|0.500000| |2.293120|2.214178|1.920379|1.825348|1.952926|2.264361|2.451681|4.030347|3.564815|6.040702|4.715286|49.293351|13.678502|11.599346|11.572031|13.017986|0.252765|53.358707| |2.155038|2.087137|1.834370|1.750338|1.862272|2.127900|2.282891|3.644928|3.238066|5.770825|3.965190|42.801355|7.660018|7.329968|7.193104|7.614541|0.199086|17.816064|36.858105| |1.866903|1.836514|1.643293|1.590653|1.698500|1.914827|2.007171|3.126475|2.705947|4.890288|3.158919|31.193489|5.114391|5.486028|5.708458|5.764455|0.147114|10.391233|12.566624|36.858105| |1.810638|1.813231|1.630303|1.597915|1.727358|1.951128|2.008809|3.115948|2.682546|4.862166|3.085812|29.682684|4.649447|5.107330|5.257529|4.847170|0.116988|8.576625|7.539220|13.699634|36.858105| |1.609515|1.620723|1.477453|1.459568|1.574383|1.752866|1.782207|2.708833|2.279651|4.153902|2.542265|22.978882|3.485892|4.052837|4.227279|3.738995|0.093462|5.951780|5.013760|7.911348|13.777986|36.858105| |1.490528|1.489559|1.366869|1.346138|1.437148|1.582740|1.615348|2.429870|2.023335|3.692651|2.233965|19.778677|3.003350|3.564917|3.763619|3.361004|0.087799|5.079400|4.427453|6.832976|7.930413|13.728971|36.858105| |1.520733|1.501814|1.374045|1.341443|1.420098|1.562798|1.613944|2.433870|2.032526|3.703870|2.260095|20.198540|3.116327|3.683857|3.915869|3.622858|0.098493|5.386339|5.014048|7.901167|6.884674|7.956560|13.776222|36.858105| |1.687691|1.651808|1.494941|1.446947|1.529857|1.699160|1.777301|2.717964|2.304169|4.182196|2.618823|24.335715|3.871171|4.427779|4.698606|4.611398|0.127588|7.117222|7.564652|13.743261|7.967852|6.897018|7.939665|13.729976|36.858105| |1.838245|1.772290|1.574075|1.506538|1.595771|1.803675|1.921327|3.044974|2.510001|4.231031|3.093164|26.151536|5.364199|7.212656|10.588598|12.633540|0.248635|10.325155|5.847852|5.614238|5.021346|4.099923|3.733031|3.955767|4.773228|36.858105| |1.673907|1.606251|1.440925|1.378613|1.447794|1.615682|1.717351|2.674363|2.177924|3.712474|2.602993|21.609010|4.082167|5.498446|7.368068|7.708120|0.208250|7.320568|4.869814|4.948872|4.278311|3.749611|3.672428|4.068096|4.779884|14.274078|36.858105| |1.496914|1.449557|1.314171|1.267332|1.332135|1.474004|1.547934|2.376802|1.910999|3.278881|2.227705|18.096081|3.218374|4.347575|5.499167|5.009445|0.132426|5.456658|3.768892|4.121003|3.840046|3.643752|3.673565|3.916416|4.168821|7.950579|13.060847|36.858105| |1.369490|1.329072|1.214976|1.175277|1.231226|1.350590|1.410816|2.139469|1.712147|2.967930|1.955553|15.820389|2.693501|3.594720|4.321517|3.824849|0.104967|4.452896|3.242432|3.648201|3.415398|3.418893|3.654576|3.944847|3.942991|5.235233|7.426787|14.291185|36.858105| |1.283255|1.255579|1.154078|1.123617|1.180785|1.290656|1.336331|2.013755|1.598121|2.771078|1.806063|14.379850|2.396123|3.219494|3.801458|3.197311|0.085147|3.850317|2.763529|3.127479|3.104596|3.228999|3.399167|3.430786|3.284786|4.244307|5.167238|8.493950|12.794318|36.858105| |1.323424|1.299911|1.192037|1.162936|1.227755|1.347374|1.391905|2.106639|1.667256|2.871443|1.895227|14.955786|2.515863|3.420238|4.085665|3.345499|0.086120|4.010443|2.780170|3.109169|3.187639|3.275209|3.277250|3.193162|3.114213|4.550089|5.131698|8.093059|8.235458|15.037585|53.358707| |1.464003|1.430210|1.299397|1.260608|1.332520|1.475450|1.537226|2.357871|1.877666|3.202216|2.181453|17.315561|3.043159|4.192673|5.273078|4.388647|0.109529|4.960076|3.292306|3.586418|3.605073|3.492146|3.369897|3.354488|3.457992|6.684393|7.505688|12.709416|8.315850|8.727823|17.898488|36.858105| |1.456689|1.416797|1.287138|1.245225|1.311802|1.450510|1.516535|2.325573|1.831656|3.095944|2.130148|16.474625|2.898623|4.124816|5.250107|4.124290|0.104473|4.554263|2.965808|3.098200|3.081468|2.945583|2.835613|2.847823|2.972978|5.867404|6.461438|8.991270|6.517185|6.796032|12.750885|17.404352|0.500000| |1.583593|1.560019|1.408669|1.371466|1.464104|1.637629|1.700079|2.635946|2.116368|3.592561|2.492221|19.970212|3.575840|4.889293|6.175572|5.027012|0.115752|5.883284|3.708612|4.045399|4.317311|4.045799|3.622516|3.457525|3.627057|7.767831|6.634483|7.673322|5.457815|5.547839|10.205433|12.667431|0.252883|36.858105| |1.770814|1.736993|1.550188|1.500493|1.606067|1.817961|1.906163|3.009653|2.459099|4.142357|2.989881|24.667630|4.757762|6.438507|8.644657|7.423895|0.152526|8.318088|4.771853|4.966154|5.172623|4.385184|3.776827|3.693430|4.135145|12.872578|7.775123|6.846382|4.776766|4.372439|7.020065|7.787422|0.181022|14.373479|36.858105| |1.169136|1.147209|1.062429|1.037941|1.087963|1.179976|1.215399|1.812309|1.430115|2.496054|1.590724|12.565653|2.033568|2.721759|3.120062|2.574423|0.069574|3.197246|2.342437|2.649969|2.649246|2.832863|3.064290|3.067435|2.839051|3.201951|3.740652|5.176799|7.233477|12.702517|10.678292|5.236754|0.127184|3.955513|3.286363|36.858105| |1.322679|1.278328|1.173051|1.132328|1.179351|1.286370|1.346270|2.027215|1.623591|2.837995|1.833795|14.894185|2.475941|3.266032|3.807377|3.382695|0.097423|4.050364|3.090563|3.462587|3.121619|3.145851|3.528883|4.046931|3.998059|4.207779|5.766666|7.421525|12.703939|7.189264|6.959556|5.050659|0.121998|3.900537|3.679725|5.996255|36.858105| |3.764113|4.983853|4.431205|5.022597|7.572695|12.619323|7.520030|8.972856|5.781120|10.172445|4.283896|24.791595|2.809373|3.705141|3.136229|2.131623|0.055437|3.279574|2.247480|2.048163|2.133866|1.917119|1.704863|1.659926|1.795525|1.910909|1.694256|1.552944|1.418434|1.363860|1.950926|1.569306|0.042634|1.766466|1.962676|1.243946|1.340035|36.858105| |17.528082|8.798610|5.911162|4.304695|3.959858|4.534890|6.605114|8.990150|4.974554|7.388136|4.325561|22.598343|2.812928|4.026079|3.361339|2.210850|0.060673|3.186201|2.158324|1.865329|1.809845|1.606005|1.484954|1.514373|1.682461|1.901842|1.725868|1.540683|1.402156|1.314629|1.852818|1.513086|0.042088|1.637894|1.833642|1.193433|1.347114|3.591272|0.500000| |17.561897|8.837408|5.857676|4.294516|3.978175|4.587904|6.739267|9.226570|5.916918|9.393916|4.772709|25.981319|3.040293|4.157728|3.422046|2.319227|0.064293|3.435681|2.389754|2.036238|1.952614|1.719602|1.592956|1.636579|1.834411|1.969168|1.789798|1.585333|1.447523|1.346320|1.883190|1.536842|0.042295|1.662464|1.874873|1.222768|1.402875|3.638067|0.302187|0.500000| |17.590756|8.873670|7.319776|4.783383|3.984493|4.159391|5.571963|6.605418|4.047345|6.652899|3.421238|19.564813|2.402628|3.333086|2.852748|1.937354|0.053775|2.806327|1.961085|1.715804|1.659365|1.488469|1.390301|1.422336|1.569826|1.688021|1.554407|1.398026|1.287636|1.207783|1.688612|1.364315|0.037766|1.462832|1.622106|1.106305|1.250700|3.210402|0.302466|0.301739|0.500000| |7.034830|8.927457|17.713677|8.929383|5.654146|4.928935|5.655847|5.688463|3.468319|6.025303|2.830279|16.784479|2.041671|2.786655|2.428264|1.668172|0.045731|2.436152|1.719393|1.543805|1.522080|1.385581|1.291713|1.304460|1.416906|1.486747|1.371827|1.253359|1.163240|1.103900|1.546641|1.235358|0.034067|1.328986|1.456161|1.019349|1.128159|3.544535|0.154196|0.151534|0.226088|0.500000| |4.097077|5.637801|8.927165|17.712693|8.929127|5.631617|4.969590|4.927740|3.097892|5.591234|2.515541|15.391330|1.862797|2.509808|2.212784|1.532469|0.041492|2.257135|1.600854|1.468223|1.475936|1.359574|1.260972|1.255860|1.346234|1.389258|1.279875|1.183445|1.103164|1.057677|1.487033|1.177706|0.032330|1.274745|1.384926|0.981742|1.065845|4.098203|0.099806|0.099357|0.113802|0.215455|0.500000| |3.548733|4.938984|5.655656|8.937209|17.714768|8.933003|5.663476|5.675856|3.610656|6.621647|2.855088|17.465157|2.070892|2.758363|2.415304|1.669368|0.044426|2.500117|1.760231|1.627083|1.669308|1.535741|1.401806|1.376309|1.470457|1.519343|1.382163|1.281192|1.188708|1.146179|1.623366|1.286944|0.035135|1.414438|1.540806|1.060204|1.137976|7.047760|0.090177|0.090550|0.090687|0.124379|0.215700|0.500000| |6.479438|6.765927|4.637248|4.040865|4.412957|6.114169|9.140084|26.035439|9.420897|10.873485|7.699505|31.910564|3.771938|5.414440|4.243815|2.700571|0.071074|4.033003|2.619433|2.242830|2.228123|1.938437|1.742897|1.749106|1.954286|2.291080|2.007026|1.780475|1.594113|1.501032|2.145927|1.774155|0.049016|1.982071|2.264314|1.346251|1.503215|5.412327|0.204428|0.174992|0.132315|0.108403|0.091668|0.101917|0.500000| |4.555864|4.118286|3.172038|2.820653|2.991037|3.736691|4.698848|9.590429|8.867735|11.017397|17.611328|56.441286|6.676589|9.669390|6.382213|3.968939|0.105002|6.136471|3.789470|2.981334|2.833477|2.356356|2.110732|2.168416|2.524928|3.075015|2.622321|2.221969|1.948832|1.785483|2.537254|2.153984|0.059037|2.416507|2.888193|1.571617|1.838158|3.655692|0.135020|0.147462|0.102734|0.079630|0.067688|0.073261|0.210145|0.500000| |3.751512|3.770310|2.997815|2.804472|3.128893|4.045835|4.693279|9.728035|8.845051|10.899894|17.618906|56.495649|6.732637|9.628961|6.510948|3.943631|0.097643|6.268477|3.712471|3.057595|3.072063|2.548699|2.215761|2.209270|2.526844|3.187029|2.639447|2.280524|1.985739|1.853651|2.682696|2.280210|0.062209|2.651587|3.186712|1.625527|1.834996|4.380530|0.110555|0.112107|0.086130|0.073663|0.067296|0.078242|0.212177|0.303530|0.500000| |2.304789|2.147575|1.857350|1.733925|1.817742|2.086138|2.310493|3.798397|3.057544|4.845606|4.038041|29.641288|6.535409|13.122664|25.961443|9.233310|0.227713|8.381423|4.385135|3.571660|3.263129|2.715171|2.479994|2.605295|3.081345|6.500893|5.099189|3.859728|3.070175|2.692134|3.905609|3.669774|0.105228|4.058277|5.241905|2.224374|2.735110|2.152958|0.068507|0.068708|0.057978|0.048744|0.043885|0.047120|0.083061|0.121838|0.117491|0.500000| |2.317596|2.260582|1.978058|1.888424|2.017530|2.319152|2.490156|3.981318|3.653281|6.727590|4.381258|52.549523|7.412168|6.859004|6.157242|5.675455|0.150732|12.545361|17.612163|8.983323|6.639044|4.606692|4.029987|4.415545|6.114080|4.471587|3.820057|3.111703|2.749305|2.407165|3.305000|2.803679|0.071184|3.156697|3.918199|2.087523|2.652364|2.449910|0.063600|0.072209|0.058268|0.051226|0.047764|0.052813|0.077809|0.113169|0.109643|0.106465|0.500000| |2.111543|2.011853|1.774162|1.679088|1.763621|1.995110|2.159718|3.414015|2.979174|5.290037|3.594522|35.924516|6.328839|6.679858|6.750302|7.226210|0.227500|12.393604|17.496094|8.890423|5.584476|4.186670|3.984859|4.787811|7.345904|5.515390|5.005480|3.773675|3.295215|2.733317|3.662015|3.170324|0.080343|3.399070|4.228569|2.328743|3.254720|2.068358|0.058773|0.065341|0.053868|0.046622|0.042823|0.046171|0.068587|0.099462|0.092326|0.120925|0.304464|0.500000| |1.935113|1.955269|1.745678|1.716476|1.875826|2.146027|2.201023|3.458280|3.010049|5.419918|3.509226|34.302778|5.296545|5.701250|5.675018|4.944836|0.114562|9.267712|7.003065|8.918795|17.722107|8.929421|5.643847|4.958431|5.660874|4.901854|3.960406|3.531500|3.080083|2.858692|4.106556|3.457713|0.083885|4.330214|5.362685|2.440879|2.772197|2.387814|0.053859|0.057841|0.048819|0.044911|0.043779|0.050325|0.068560|0.087072|0.098856|0.095520|0.183152|0.140659|0.500000| |1.560448|1.586535|1.453558|1.447535|1.570911|1.744985|1.753473|2.647863|2.207793|4.022834|2.429993|21.341831|3.169049|3.759184|3.887795|3.291192|0.081726|5.156364|4.090681|5.637017|8.936835|17.715075|8.907765|5.653398|4.964289|3.607549|3.277796|3.269246|3.083446|3.035362|4.288932|3.284905|0.077836|3.875770|4.057192|2.709345|2.801423|1.930381|0.043268|0.045964|0.040088|0.037774|0.037530|0.042858|0.052599|0.062067|0.068582|0.069741|0.107846|0.096217|0.215718|0.500000| |1.380791|1.384606|1.280064|1.266233|1.350065|1.475405|1.496140|2.228282|1.834210|3.349799|1.998276|17.220890|2.579412|3.125346|3.294360|2.857442|0.075218|4.214347|3.542236|4.931015|5.642281|8.900722|17.715085|8.913970|5.643147|3.184634|3.187809|3.308329|3.406525|3.299096|4.293845|3.109780|0.073326|3.272175|3.281132|3.100404|3.323568|1.588674|0.038192|0.040756|0.035941|0.033683|0.033106|0.036763|0.044429|0.052583|0.055292|0.061133|0.091580|0.090675|0.124131|0.214647|0.500000| |1.424243|1.402212|1.290570|1.259243|1.325069|1.446837|1.494081|2.233660|1.846347|3.364598|2.031717|17.719184|2.709055|3.270602|3.480157|3.154178|0.087948|4.533004|4.093531|5.633518|4.957549|5.649547|8.916166|17.710530|8.915779|3.437489|3.676895|3.639009|3.855517|3.350716|4.115716|3.087799|0.073805|3.061318|3.184216|3.105965|4.216948|1.525137|0.039365|0.042479|0.037243|0.034208|0.032892|0.035716|0.044664|0.054678|0.055055|0.065602|0.102334|0.114014|0.107608|0.124143|0.214627|0.500000| |1.691810|1.637596|1.482045|1.424472|1.493210|1.652050|1.743065|2.659408|2.244319|4.062636|2.547780|23.320365|3.720001|4.326104|4.593769|4.517849|0.134024|6.643108|7.021571|8.918269|5.654174|4.962649|5.651194|8.926634|17.693998|4.505027|4.739445|4.017072|3.853484|3.120594|3.957804|3.233718|0.078979|3.274807|3.714728|2.721107|4.123098|1.722917|0.046836|0.051313|0.043922|0.039235|0.036857|0.039705|0.053263|0.069548|0.067494|0.085689|0.159468|0.226734|0.124270|0.107685|0.124209|0.215834|0.500000| |1.684315|1.600961|1.436596|1.366696|1.425148|1.584595|1.695607|2.631381|2.143697|3.667529|2.547954|21.161536|3.929565|5.269401|6.783506|7.083619|0.230670|6.883253|4.855596|4.714354|3.869942|3.395793|3.424622|3.965176|4.794506|9.052356|17.704973|8.624827|6.434477|4.421790|5.684708|5.439390|0.138721|4.826082|5.538727|3.406069|5.917337|1.643478|0.048128|0.050305|0.043643|0.038171|0.035281|0.037674|0.054767|0.072404|0.070444|0.136128|0.106303|0.150363|0.098586|0.081966|0.082920|0.102374|0.142367|0.500000| |1.530215|1.521377|1.380532|1.353446|1.451647|1.619937|1.664830|2.564396|2.042161|3.472083|2.370102|18.662455|3.214796|4.398589|5.288682|4.085961|0.095665|5.069571|3.241894|3.550397|3.958465|3.848499|3.392401|3.125597|3.186944|5.533200|4.829084|5.529213|4.443387|4.884816|9.232839|8.558013|0.197749|17.722414|9.067311|3.724341|3.331089|1.762759|0.043944|0.044322|0.039281|0.036110|0.035013|0.039173|0.053512|0.063202|0.070806|0.097248|0.079159|0.081886|0.113245|0.107511|0.087335|0.077407|0.079549|0.105395|0.500000| |1.891002|1.872183|1.660845|1.613208|1.743752|1.995455|2.084834|3.330654|2.743790|4.589674|3.385180|28.006659|5.430376|7.256013|9.106923|7.009790|0.140166|9.039057|4.881670|4.920192|5.451477|4.446468|3.639546|3.467386|3.891385|8.703137|5.634153|4.953944|3.790761|3.569979|5.639802|5.541705|0.137311|9.108915|17.754544|2.828442|3.083727|2.186001|0.054423|0.055552|0.047708|0.043009|0.041148|0.046458|0.069538|0.088582|0.102763|0.144929|0.115269|0.114808|0.173041|0.117578|0.087816|0.082347|0.096094|0.123687|0.216424|0.500000| |1.133280|1.107396|1.027186|1.001033|1.044684|1.129680|1.166868|1.735436|1.363523|2.376274|1.513144|11.854959|1.914222|2.581504|2.954351|2.418265|0.066444|2.977639|2.182083|2.417036|2.374265|2.494948|2.696268|2.760498|2.600379|2.946682|3.488029|4.660353|6.463741|8.894549|8.265841|4.524557|0.116653|3.434840|2.940526|17.533834|5.985786|1.183778|0.032167|0.032901|0.029887|0.027465|0.026341|0.028244|0.035882|0.041815|0.042815|0.059316|0.054254|0.061097|0.061108|0.066020|0.075331|0.078659|0.070764|0.091021|0.089250|0.070808|0.500000| |1.133132|1.116740|1.036890|1.016543|1.067583|1.155938|1.185144|1.762025|1.383869|2.413344|1.532126|11.993904|1.924931|2.587335|2.943894|2.380241|0.063596|2.986637|2.166122|2.437285|2.490837|2.682168|2.842364|2.765375|2.557851|2.924641|3.282403|4.369627|5.424913|8.962301|10.176559|4.815707|0.120114|3.807502|3.106544|17.621015|4.500269|1.222763|0.032155|0.032786|0.029787|0.027613|0.026744|0.028983|0.036382|0.041895|0.043741|0.058219|0.054192|0.059172|0.064708|0.072942|0.080880|0.076914|0.067485|0.082396|0.104179|0.075607|0.299874|0.500000| |1.157797|1.138273|1.055949|1.033175|1.083268|1.173115|1.205881|1.793233|1.421190|2.498054|1.572371|12.546250|2.006646|2.648834|2.995723|2.501950|0.067948|3.172320|2.378229|2.747535|2.745724|3.010181|3.377902|3.385038|3.021840|3.059850|3.545917|4.677824|6.505416|8.895707|8.249316|4.489127|0.107160|3.618215|3.107430|17.537224|6.107435|1.237191|0.032683|0.033712|0.030457|0.028142|0.027169|0.029359|0.036812|0.043004|0.044368|0.058900|0.059092|0.065716|0.069105|0.079486|0.097153|0.097541|0.080068|0.091257|0.094810|0.075335|0.302342|0.299871|0.500000| |1.250446|1.206479|1.111508|1.072626|1.113059|1.208297|1.264050|1.892956|1.503106|2.622671|1.685790|13.455964|2.211303|2.956439|3.419489|2.937490|0.085040|3.521344|2.654652|2.897506|2.651546|2.676773|2.964009|3.320511|3.274045|3.541473|4.648181|5.808851|8.862297|6.395742|6.277623|4.386174|0.112137|3.386867|3.162536|6.008238|17.530881|1.253481|0.035427|0.036701|0.032986|0.029794|0.028126|0.029858|0.039090|0.047170|0.046910|0.069349|0.064521|0.077774|0.066668|0.067574|0.079136|0.097012|0.094455|0.134235|0.082398|0.074950|0.188642|0.125132|0.163601|0.500000| |1.284679|1.248214|1.149505|1.113955|1.162032|1.264261|1.316203|1.972223|1.583938|2.792570|1.772100|14.511373|2.361313|3.065797|3.493864|3.095374|0.088140|3.861398|3.028553|3.519605|3.207961|3.352690|3.945928|4.579618|4.231235|3.754722|4.784508|5.855314|8.873533|6.433593|6.334661|4.392775|0.104459|3.594112|3.395602|6.017090|17.533800|1.320527|0.036161|0.037856|0.033776|0.030691|0.029177|0.031241|0.040381|0.048966|0.049104|0.068844|0.073062|0.087675|0.077717|0.082534|0.105523|0.139228|0.119331|0.134044|0.087535|0.080895|0.159423|0.125872|0.193296|0.302354|0.500000| |1.393931|1.338518|1.223682|1.175355|1.220881|1.334487|1.405837|2.124821|1.710237|2.988766|1.942756|15.914055|2.670124|3.506200|4.093590|3.734606|0.111970|4.410211|3.421056|3.737868|3.220582|3.140347|3.498850|4.193502|4.393798|4.505608|6.405760|6.937404|8.885868|5.387712|5.820593|4.566881|0.112999|3.711627|3.696027|4.494725|17.584630|1.383035|0.039411|0.041297|0.036602|0.032723|0.030672|0.032594|0.043754|0.054484|0.053522|0.082138|0.080508|0.103641|0.079156|0.076430|0.089178|0.120906|0.132787|0.206337|0.087083|0.086576|0.125032|0.100244|0.126847|0.301775|0.302036|0.500000| |3.578112|4.526581|3.973283|4.347839|6.006887|8.868214|6.552965|8.634917|6.487120|12.683784|4.666325|28.323273|3.060358|3.916223|3.288243|2.268202|0.058810|3.572236|2.475422|2.251967|2.358004|2.101981|1.854488|1.801366|1.955701|2.022628|1.785560|1.629845|1.487970|1.425492|2.034353|1.638538|0.044169|1.853013|2.073823|1.297783|1.407699|17.577750|0.093524|0.100210|0.084970|0.090447|0.100907|0.157545|0.139998|0.106634|0.128621|0.061943|0.076278|0.062593|0.073860|0.058718|0.047759|0.045707|0.051856|0.048100|0.051203|0.064454|0.034199|0.035346|0.035995|0.036396|0.038670|0.040431|0.500000| |3.658803|4.602564|3.965766|4.264966|5.798724|8.836838|6.802199|9.418754|5.867893|9.384712|4.650085|25.763828|2.999670|4.036822|3.398206|2.263578|0.058246|3.458450|2.314427|2.102911|2.201276|1.967433|1.738568|1.688538|1.830459|2.028169|1.781546|1.631204|1.479120|1.425319|2.053365|1.661716|0.045329|1.886283|2.103173|1.293067|1.386091|17.560734|0.101203|0.097863|0.085971|0.090297|0.098626|0.149477|0.169935|0.109090|0.140870|0.064641|0.069205|0.058884|0.069074|0.055135|0.044907|0.042958|0.048656|0.047694|0.052461|0.065711|0.034139|0.035366|0.035560|0.035998|0.037779|0.039673|0.302088|0.500000| |3.213947|4.163275|3.982794|4.782720|7.313175|8.881594|5.575646|6.569592|4.364021|7.880034|3.466301|21.084228|2.461961|3.251298|2.817124|1.931798|0.050332|2.944167|2.036965|1.889931|1.983878|1.810438|1.616488|1.564284|1.672791|1.759937|1.572672|1.456692|1.339158|1.296544|1.854660|1.478901|0.040175|1.658685|1.820328|1.189944|1.266256|17.585303|0.085386|0.085583|0.078730|0.090658|0.113829|0.225796|0.116789|0.084206|0.099150|0.053932|0.061232|0.052227|0.061281|0.051070|0.042179|0.040091|0.044502|0.042310|0.046304|0.056029|0.031454|0.032614|0.032908|0.032995|0.034770|0.036135|0.301324|0.301638|0.500000| 1859.137199 -11878.794606 4628.457827 -228.336568 -5619.536148 3758.752728 -1860.783420 2.000885 40CE180000000005 453D1F560DC1AC68 44BC3D6AB8019F6D 4288DE1B42C00003 33D9B604819B87C1 4503C0FDC4D04058