Version2.1 2021-01-19T04:26:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2cc(c(=O)[nH]c2cc1C)C[NH+](CCCO)[C@@H](c3nnnn3CCOC)C(C)C C13498944 RHF 6-31G(d) (6D,7F) Cc1cc2cc(c(=O)[nH]c2cc1C)C[NH+](CCCO)[C@@H](c3nnnn3CCOC)C(C)C C01[X(C23H35N6O3)] 195 C1 550 OCCC[NH+]([C@@H](c1nnnn1CCOC)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C OCCC[NH+]([C@@H](c1nnnn1CCOC)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C COCCn1nnnc1[C@@H](C(C)C)[NH+](CCCO)CC2=Cc3cc(C)c(C)cc3NC2=O InChIKey=HVQSEXNBWPFHJP-OAQYLSRUSA-O InChI=1S/C23H34N6O3/c1-15(2)21(22-25-26-27-29(22)8-10-32-5)28(7-6-9-30)14-19-13-18-11-16(3)17(4)12-20(18)24-23(19)31/h11-13,15,21,30H,6-10,14H2,1-5H3,(H,24,31)/p+1/t21-/m1/s1 InChI=1/C23H34N6O3/c1-15(2)21(22-25-26-27-29(22)8-10-32-5)28(7-6-9-30)14-19-13-18-11-16(3)17(4)12-20(18)24-23(19)31/h11-13,15,21,30H,6-10,14H2,1-5H3,(H,24,31)/p+1/t21-/m1/s1/fC23H35N6O3/h24,28H/q+1 Cc1cc2cc(c(=O)[nH]c2cc1C)C[NH+](CCCO)[C@@H](c3nnnn3CCOC)C(C)C C01[X(C23H35N6O3)] 195 C01 550 OCCC[NH+]([C@@H](c1nnnn1CCOC)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C OCCC[NH]([C@@H]([C]1[N][N][N][N]1CCOC)C(C)C)CC1=[CH][C]2[CH][C]([C]([CH][C]2N[C]1[O])C)C COCCN1[N][N][N][C]1[C@@H](C(C)C)[NH](CCCO)CC2=C[C]3[CH][C](C)[C](C)[CH][C]3N[C]2[O] InChIKey=SJJDIISFKCSPCR-OAQYLSRUSA-N InChI=1S/C23H35N6O3/c1-15(2)21(22-25-26-27-29(22)8-10-32-5)28(7-6-9-30)14-19-13-18-11-16(3)17(4)12-20(18)24-23(19)31/h11-13,15,21,28,30H,6-10,14H2,1-5H3,(H,24,31)/t21-/m1/s1 InChI=1/C23H35N6O3/c1-15(2)21(22-25-26-27-29(22)8-10-32-5)28(7-6-9-30)14-19-13-18-11-16(3)17(4)12-20(18)24-23(19)31/h11-13,15,21,28,30H,6-10,14H2,1-5H3,(H,24,31)/t21-/m1/s1/f/h24H 3354.1504074883 -1442.3889676 1-A 20068.7275 119 431 550 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65668 -20.65405 -20.64792 -15.81812 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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| 15.4351 23.3088 26.8007 32.2519 36.0942 46.7784 73.9000 75.6480 83.9806 88.8460 93.6169 101.5225 106.7643 109.3013 120.8779 127.8296 135.0384 158.6818 163.3088 178.6895 184.6143 196.0529 211.7114 226.0248 236.5904 239.3411 255.6897 264.6086 278.5688 282.0645 291.5614 315.1268 324.7308 325.4275 337.2317 350.8287 373.5171 392.1955 400.3653 417.5379 425.1654 449.2869 458.9673 469.8663 490.9054 514.5223 521.4900 533.5004 546.9261 577.4992 589.1706 626.6412 664.1046 696.0726 720.0101 744.5073 777.6088 801.0041 810.5205 813.0660 820.7214 833.1203 849.7992 867.0229 877.9621 884.4039 898.8817 928.0922 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3230.0938 3251.9379 3255.5465 3264.9026 3266.3375 3273.0409 3280.5555 3280.9815 3286.9137 3289.5952 3292.2491 3293.7060 3297.0769 3300.1921 3301.9551 3303.6741 3325.3184 3332.1187 3345.3130 3350.1482 3360.9679 3366.2864 3368.0129 3392.0353 3614.6543 3833.1078 4109.8111 5.0000 5.4777 5.7057 4.7380 3.9841 3.7353 2.8732 2.4252 2.4005 3.5354 2.9824 3.1788 3.5412 4.7399 4.0400 3.4515 1.0945 3.4080 4.2682 3.6334 3.9281 1.2172 2.2797 1.4284 1.2773 2.2251 3.2359 2.5364 3.4336 1.7791 2.6167 1.0960 4.1315 2.7047 3.0518 2.6834 3.9156 3.1113 4.2908 5.4844 4.4944 4.0204 2.9592 2.8036 3.5778 3.4394 3.0545 4.0929 3.8250 4.0240 3.5896 3.8056 6.7436 3.6819 1.5946 2.8363 4.5788 4.1205 5.6845 3.7243 7.6978 1.4290 3.4432 4.9157 1.3844 2.9654 5.3455 2.5666 2.0303 2.7942 1.4352 1.7411 1.3618 1.4108 2.1183 1.7439 1.8509 3.3790 3.5213 1.8245 1.5439 2.0130 1.6997 4.0708 2.8486 1.4567 3.9507 2.9974 1.6121 2.4331 2.9637 4.0069 2.1057 1.8084 3.1421 2.5591 3.3659 2.6936 1.4792 2.2136 1.7158 2.0832 2.0889 1.2539 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1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 7574.2430 30187.2649 33499.1148 0.99998 0.00447 -0.00437 -0.00434 0.99954 0.02997 0.00450 -0.02995 0.99954 1 0.01144 0.00287 0.00259 0.23827 0.05978 0.05387 22.21 33.54 38.56 46.40 51.93 67.30 106.33 108.84 120.83 127.83 134.69 146.07 153.61 157.26 173.92 183.92 194.29 228.31 234.96 257.09 265.62 282.08 304.61 325.20 340.40 344.36 367.88 380.71 400.80 405.83 419.49 453.40 467.22 468.22 485.20 504.76 537.41 564.28 576.04 600.74 611.72 646.42 660.35 676.03 706.30 740.28 750.31 767.59 786.90 830.89 847.69 901.60 955.50 1001.49 1035.93 1071.18 1118.81 1152.47 1166.16 1169.82 1180.84 1198.67 1222.67 1247.45 1263.19 1272.46 1293.29 1335.32 1359.25 1393.46 1399.93 1425.05 1451.92 1465.51 1479.21 1501.84 1514.22 1550.59 1567.46 1570.37 1587.93 1603.42 1624.75 1643.42 1648.03 1667.29 1669.71 1685.15 1701.24 1724.21 1749.34 1750.59 1768.04 1785.93 1803.99 1810.98 1840.43 1846.73 1856.52 1864.59 1869.43 1895.78 1914.46 1946.99 1950.05 1957.95 1970.02 1974.48 1986.78 2020.36 2035.00 2050.79 2067.81 2073.58 2076.36 2088.33 2098.20 2099.96 2125.12 2148.23 2161.61 2174.40 2197.43 2212.31 2242.03 2250.09 2257.84 2270.77 2272.79 2280.12 2285.93 2287.40 2299.92 2326.54 2331.54 2333.10 2343.36 2353.38 2354.89 2355.61 2360.32 2362.74 2366.72 2367.13 2369.09 2370.48 2375.83 2381.47 2385.44 2389.18 2395.65 2401.82 2405.25 2426.30 2428.81 2494.39 2542.99 2607.18 2639.26 2702.11 4580.49 4587.60 4604.66 4619.95 4620.69 4627.62 4630.30 4630.79 4647.38 4678.81 4684.01 4697.47 4699.53 4709.18 4719.99 4720.60 4729.14 4732.99 4736.81 4738.91 4743.76 4748.24 4750.78 4753.25 4784.39 4794.18 4813.16 4820.12 4835.68 4843.34 4845.82 4880.38 5200.68 5514.99 5913.10 0.622842 0.654342 0.655286 0.557383 -1441.766125 -1441.734626 -1441.733681 -1441.831585 3.283716D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE Cc1cc2cc(c(=O)[nH]c2cc1C)C[NH+](CCCO)[C@@H](c3nnnn3CCOC)C(C)C C13498944 RHF 6-31G(d) (6D,10F) C1 443.277064 |X|Y|Z| 56.448129 36.716560 124.636380 63.687195 18 6 7 12 6 |36.858105| |12.607986|36.858105| |7.608774|13.900166|36.858105| |4.998690|7.849353|13.562285|36.858105| |3.806648|5.070936|7.615479|13.253834|36.858105| |3.065756|3.920030|5.112040|7.830515|14.164985|36.858105| |2.909394|3.758786|4.498461|6.729206|7.848256|13.049395|36.858105| |2.459655|3.046143|3.491880|4.701236|5.376594|8.113745|15.587309|73.516695| |3.347059|4.556673|5.200334|7.987913|6.982736|7.977327|14.113654|15.073719|53.358707| |3.044909|4.000216|4.267187|5.791636|5.111705|5.804576|9.556550|13.977409|25.954046|0.500000| |4.421967|6.810626|7.927154|13.709834|7.860716|6.797766|7.847354|9.581800|18.737740|0.256057|36.858105| |5.001061|7.864983|6.892974|7.896106|5.134343|4.539919|5.168083|7.258968|10.714962|0.202248|13.667786|36.858105| |7.474628|13.426033|7.944033|6.820326|4.504097|3.777432|3.941354|5.732747|7.052659|0.132778|7.915209|13.833534|36.858105| |6.444091|7.499144|5.033411|4.428284|3.320019|2.924851|3.088098|4.730843|5.276014|0.105844|5.032877|7.634928|12.625614|36.858105| |2.540244|3.058131|3.811288|4.975237|7.619133|12.650695|7.518107|12.000339|6.923503|0.117075|4.429653|3.346376|2.921937|2.381434|36.858105| |2.199948|2.597250|3.088170|3.869133|5.132655|7.485316|6.353491|12.431136|6.006579|0.108294|3.697010|2.926246|2.548010|2.137806|12.457371|53.358707| |2.246212|2.688882|3.154767|4.042250|5.124262|7.750755|7.880234|17.558325|7.030050|0.128329|4.065348|3.187695|2.702458|2.262042|9.379278|25.607188|0.500000| |1.928438|2.233361|2.580911|3.120918|3.884308|5.186437|4.884287|10.295541|4.945830|0.093339|3.060138|2.520533|2.214898|1.903252|7.661530|17.164705|0.264443|36.858105| |1.720724|1.967430|2.216764|2.618358|3.091714|3.898423|3.936194|8.539272|4.235911|0.083051|2.632012|2.239384|1.977077|1.733712|4.926359|10.212065|0.198293|12.507347|36.858105| |1.562569|1.767007|1.959143|2.272234|2.607891|3.172790|3.264900|6.978535|3.666908|0.073362|2.306756|2.008652|1.786539|1.590542|3.831764|6.706449|0.133165|7.574940|12.492890|36.858105| |1.434572|1.607210|1.759900|2.011315|2.260510|2.676328|2.778153|5.836961|3.222839|0.065335|2.053124|1.820752|1.631363|1.470495|3.100836|5.324856|0.108561|5.152628|8.159794|13.658496|73.516695| |2.089834|2.413502|2.845594|3.403988|4.357965|5.455183|4.634868|8.577873|4.886753|0.089597|3.184858|2.606976|2.334648|1.985454|7.357166|17.115346|0.256328|7.512079|6.295127|4.226849|6.482311|36.858105| |1.912553|2.191122|2.520063|2.974150|3.615321|4.447665|4.128832|8.065516|4.471660|0.084601|2.877355|2.411658|2.154893|1.862564|5.521016|12.531657|0.228631|7.137312|7.428306|4.689981|7.474942|17.668046|0.500000| |1.951113|2.200343|2.587174|2.974770|3.777455|4.383591|3.632292|6.553348|4.008665|0.073933|2.716583|2.274669|2.091046|1.798947|6.080218|10.482805|0.158664|6.361876|5.317400|3.927570|6.052591|12.639721|0.250255|36.858105| |2.041288|2.286506|2.728494|3.090079|4.011895|4.443849|3.502114|6.073757|3.922234|0.071428|2.732607|2.284612|2.130443|1.823743|6.282027|8.619754|0.133335|5.420220|4.273784|3.415597|5.214433|7.656713|0.159373|14.708583|53.358707| |1.826643|2.002852|2.337666|2.568589|3.173977|3.404778|2.822389|4.956763|3.268574|0.060635|2.302002|1.976675|1.868728|1.628431|4.431796|6.172794|0.102192|4.316965|3.685602|3.119232|4.894107|5.335468|0.126114|9.052004|19.458343|53.358707| |1.674716|1.831358|2.102693|2.310674|2.784591|3.029924|2.613285|4.701846|3.042343|0.057264|2.118430|1.838740|1.731663|1.524401|3.836020|5.786540|0.098089|4.194864|3.866898|3.268661|5.278731|5.276411|0.134731|8.898273|12.200139|20.719848|53.358707| |1.725570|1.911989|2.197882|2.464034|2.988597|3.361920|2.933153|5.380387|3.350856|0.063148|2.287827|1.967407|1.827265|1.601066|4.314693|7.202967|0.120197|5.075882|4.843341|3.794889|6.132576|7.489095|0.198649|14.273037|12.184747|12.437125|19.534355|53.358707| |1.568647|1.728508|1.948649|2.170310|2.544766|2.855527|2.614738|4.904738|3.042527|0.058469|2.063587|1.805016|1.674502|1.486893|3.464415|5.911511|0.106031|4.354015|4.738721|3.812489|6.616439|5.859716|0.185361|7.410333|7.254944|7.492937|10.762323|17.732707|36.858105| |1.481992|1.609776|1.797866|1.960127|2.251800|2.443031|2.242896|4.125981|2.682839|0.051747|1.856267|1.649238|1.551608|1.390850|2.839440|4.549457|0.084218|3.253248|3.452310|2.939025|5.227428|4.341941|0.130521|5.243002|5.831337|6.361539|8.813541|10.477593|12.498739|36.858105| |1.376519|1.491793|1.644808|1.789695|2.017477|2.192234|2.067915|3.850413|2.501772|0.048881|1.722477|1.547409|1.453217|1.314927|2.487057|4.002773|0.076511|2.915203|3.234337|2.829301|5.259447|3.661227|0.114618|4.030759|4.559270|4.801213|6.118890|7.149734|8.237510|13.745481|73.516695| |1.288094|1.381203|1.509900|1.620191|1.800423|1.921396|1.817741|3.348895|2.236697|0.043848|1.558586|1.416736|1.343165|1.225650|2.135004|3.325314|0.064262|2.406158|2.612960|2.349466|4.369869|2.949558|0.089346|3.214674|3.823343|4.073762|4.979527|5.394467|5.257074|8.117540|24.158699|36.858105| |2.324938|2.701258|3.217335|3.829251|4.829250|5.572270|4.671412|8.000340|5.184534|0.093615|3.507060|2.862240|2.583587|2.173376|6.120458|10.175032|0.195006|4.875206|4.319625|3.215604|5.154727|12.294897|0.247943|7.452499|8.016868|5.963774|5.757995|7.310879|4.545653|3.849410|5.896312|2.791154|36.858105| |2.349889|2.770383|3.200729|3.868410|4.494613|5.246454|5.078885|8.942369|5.822629|0.107997|3.796465|3.128907|2.748943|2.322239|5.029713|8.381693|0.195182|4.321706|4.094840|3.104774|5.098114|7.492387|0.199778|4.896019|5.537955|4.451988|4.401617|5.409004|3.707813|3.223060|5.265922|2.539839|12.413298|36.858105| |2.115242|2.374157|2.756652|3.089780|3.675407|3.919185|3.407006|5.889365|4.027493|0.074670|2.827340|2.415428|2.249956|1.940593|4.257086|6.664329|0.127178|3.755612|3.544321|2.772334|4.614428|7.510205|0.186153|6.534080|7.204797|5.947392|6.033912|7.536027|4.917540|4.585340|6.840414|3.274058|12.415145|7.607853|36.858105| |17.554980|8.822175|5.910521|4.281970|3.361634|2.786833|2.684996|4.092975|4.198280|0.079353|3.957850|4.573320|6.642275|6.511992|2.346205|2.775148|0.057778|1.818380|1.627419|1.494802|2.441222|1.920927|0.049139|1.805332|2.573664|2.322695|2.134057|2.188927|1.467479|1.385555|2.296177|1.210807|2.096063|2.116690|1.910573|0.500000| |17.553830|8.820641|5.907007|4.279953|3.357011|2.782780|2.684035|4.097181|4.197887|0.079407|3.956040|4.571772|6.641175|6.511908|2.331859|2.812379|0.058922|1.813145|1.639522|1.488752|2.450702|1.990290|0.051053|1.851939|2.609114|2.347850|2.173099|2.247085|1.515016|1.441715|2.394117|1.266289|2.235679|2.291634|2.062430|0.302544|0.500000| |17.595230|8.866360|7.332694|4.760305|3.836915|3.040611|2.789557|4.207874|4.214681|0.077413|3.970480|4.168236|5.533040|4.730703|2.569691|3.004337|0.061718|1.931375|1.714485|1.553656|2.532184|2.118711|0.053460|2.007881|2.897304|2.602639|2.367107|2.416936|1.601964|1.520301|2.493795|1.315109|2.361233|2.331568|2.171772|0.302289|0.302227|0.500000| |7.067419|8.987926|17.705003|8.911411|7.007244|4.695407|3.917384|5.577600|5.737629|0.098124|5.651562|4.961490|5.637811|4.091171|3.730700|4.083325|0.082924|2.515199|2.152669|1.903208|3.041429|2.826274|0.068871|2.642943|3.882607|3.346827|2.971500|3.060584|1.972284|1.833757|2.956447|1.532014|3.199057|3.058384|2.804802|0.153434|0.153271|0.226763|0.500000| |3.733425|4.657225|6.990507|8.803138|17.687530|9.064190|5.582534|7.628870|6.814549|0.110159|5.621843|4.168323|3.924503|3.001531|7.013988|6.457324|0.124149|3.666889|2.921411|2.478846|3.836070|4.275294|0.096912|3.947579|6.031392|4.756173|4.050152|4.238432|2.593510|2.319461|3.640936|1.835494|4.744190|4.106396|3.776278|0.091323|0.091089|0.109530|0.211794|0.500000| |4.074481|5.604292|4.961978|5.632164|4.176574|3.958069|4.761699|7.098929|9.780285|0.218412|8.907510|17.712458|8.948457|7.091371|3.035006|3.736201|0.084172|2.414698|2.187003|1.983609|3.221082|2.442373|0.063918|2.124151|2.868421|2.503480|2.354717|2.529232|1.727332|1.577981|2.657318|1.370142|2.641674|2.945678|2.246057|0.107560|0.107522|0.095768|0.107662|0.096228|0.500000| |6.544716|6.689519|4.607303|3.965775|3.061265|2.695238|2.801951|4.340728|4.646570|0.092911|4.307977|5.924638|8.853694|17.557626|2.227668|2.754891|0.059278|1.796616|1.649872|1.509715|2.499056|1.914484|0.050040|1.740548|2.395967|2.150274|2.020410|2.120391|1.452786|1.370483|2.307775|1.216210|2.121571|2.271820|1.924256|0.174294|0.213187|0.133754|0.108115|0.078349|0.153671|0.500000| |6.542639|6.688900|4.608512|3.967277|3.064712|2.698938|2.803148|4.335922|4.647363|0.092833|4.310459|5.928478|8.855786|17.558159|2.240167|2.719924|0.058116|1.801738|1.637583|1.516059|2.489078|1.852552|0.048235|1.701701|2.368415|2.130882|1.988919|2.071339|1.410737|1.321995|2.219726|1.166830|2.001220|2.101155|1.799222|0.213109|0.174231|0.133728|0.108160|0.078495|0.153807|0.302704|0.500000| |4.729344|5.536767|4.187500|3.973773|3.075607|2.809053|3.069583|4.792558|5.315037|0.111540|4.786402|7.361913|8.853668|17.604715|2.301365|2.857339|0.062354|1.885812|1.734552|1.599996|2.639796|1.938871|0.051027|1.744618|2.384321|2.132052|2.010044|2.122028|1.459196|1.361204|2.302177|1.205900|2.103811|2.282274|1.873088|0.133288|0.133293|0.103949|0.096061|0.076365|0.227942|0.301738|0.301782|0.500000| |2.399599|2.857234|3.476688|4.412468|6.168607|8.966013|6.627116|11.292461|6.378658|0.111216|4.058913|3.151197|2.758649|2.280071|17.648927|12.414582|0.205765|8.063032|4.935274|4.076701|5.673950|5.657319|0.128783|5.134736|7.433839|5.636942|4.890821|5.318962|3.196098|2.622307|4.126366|2.003340|4.608919|4.000578|3.483836|0.062679|0.060849|0.067223|0.094362|0.159864|0.080528|0.058725|0.060364|0.061569|0.500000| |2.541643|2.992697|3.777592|4.661557|7.183732|8.848048|5.528118|8.768257|5.715876|0.098100|3.931190|3.061403|2.771842|2.273598|17.730490|12.190164|0.185470|6.208430|4.297251|3.419814|5.042821|7.257038|0.145162|7.021476|11.517459|7.403485|5.981491|6.487066|3.624743|3.011600|4.569560|2.215000|6.283743|4.683119|4.594632|0.064859|0.064732|0.072927|0.107478|0.218209|0.076382|0.059730|0.059830|0.060296|0.304385|0.500000| |1.975612|2.307312|2.652040|3.246266|3.974991|5.410284|5.422091|11.987645|5.406152|0.102877|3.257429|2.672238|2.316388|1.986878|7.414811|12.560983|0.236041|17.649585|8.892663|7.127451|8.513947|5.587238|0.147086|4.805195|6.024305|4.943561|4.709458|5.400855|3.494691|2.746990|4.459156|2.120799|4.138545|3.871439|3.223733|0.052137|0.051287|0.054539|0.070828|0.101451|0.071609|0.051535|0.052398|0.054990|0.251442|0.157014|0.500000| |1.869021|2.135377|2.475196|2.924431|3.660744|4.623268|4.111835|8.065903|4.340584|0.081439|2.792617|2.326635|2.085342|1.800010|7.039970|12.321557|0.183445|17.629030|8.742802|6.619479|8.301120|6.743670|0.169807|7.045134|8.764591|7.099927|6.733828|7.783778|4.597619|3.405579|5.284226|2.455173|4.461609|3.757656|3.619759|0.049093|0.048658|0.052533|0.068262|0.100044|0.061447|0.047341|0.047742|0.049187|0.216951|0.178980|0.301369|0.500000| |1.648055|1.864052|2.098035|2.436299|2.871125|3.499325|3.419313|7.052786|3.778599|0.073759|2.411662|2.072166|1.856010|1.636061|4.401378|8.866684|0.164224|8.767067|17.601157|9.011654|13.643306|6.659239|0.239079|6.029084|6.191730|5.501310|6.112881|8.142457|6.299798|4.226306|7.009569|3.057061|4.453209|4.067591|3.842587|0.043176|0.043831|0.045895|0.057224|0.077011|0.055964|0.043608|0.042964|0.045267|0.118478|0.113067|0.173575|0.213148|0.500000| |1.753433|2.018651|2.256582|2.687109|3.111194|3.949129|4.222768|9.624597|4.555741|0.090951|2.766856|2.358978|2.056555|1.805498|4.647407|9.587979|0.218074|8.825242|17.541276|8.946628|13.110210|5.986316|0.206053|4.631827|5.098513|4.373005|4.559096|5.683683|4.209869|3.207322|5.481705|2.521734|4.426479|4.556327|3.571512|0.045956|0.046663|0.048136|0.060100|0.079899|0.064673|0.047748|0.046994|0.050548|0.125056|0.110264|0.207670|0.172636|0.302043|0.500000| |1.593294|1.811570|1.997363|2.330993|2.642444|3.235252|3.448706|7.567075|3.886405|0.078811|2.407352|2.100540|1.850768|1.649496|3.788133|6.316846|0.130790|6.828818|8.840126|17.521741|16.453804|3.788403|0.113057|3.444165|4.207533|3.805117|3.881218|4.405224|3.185033|2.546005|4.365235|2.083978|2.999078|2.968431|2.553247|0.042543|0.042057|0.043731|0.053395|0.068743|0.058107|0.043190|0.043719|0.046365|0.115046|0.091648|0.210838|0.160233|0.175188|0.216554|0.500000| |1.524100|1.710744|1.902114|2.183151|2.520761|3.014284|3.000784|6.173735|3.399694|0.067312|2.181371|1.904232|1.712707|1.526560|3.719657|6.185477|0.116951|7.003748|8.827152|17.500980|16.468739|3.966358|0.117549|3.951425|4.828257|4.535011|4.745821|5.314760|3.830791|2.957462|4.978798|2.336820|3.018657|2.821973|2.649680|0.040614|0.040199|0.042354|0.051834|0.067716|0.051872|0.040268|0.040685|0.042423|0.112661|0.094883|0.181630|0.198989|0.211803|0.174231|0.300974|0.500000| |1.359171|1.514420|1.646651|1.866386|2.074772|2.422642|2.521952|5.235281|2.975620|0.060697|1.910232|1.711476|1.540392|1.398611|2.765167|4.552381|0.092861|4.300296|5.978866|9.814155|35.738047|3.106678|0.096751|2.957436|3.564509|3.395983|3.635209|4.097624|3.221403|2.631115|4.736027|2.262622|2.540862|2.518905|2.301105|0.036323|0.036290|0.037455|0.044483|0.055151|0.047503|0.037115|0.037151|0.039313|0.080070|0.070759|0.115709|0.111689|0.156457|0.153579|0.228527|0.225939|0.500000| |1.607681|1.785480|2.007902|2.260148|2.637308|3.006100|2.810284|5.356723|3.252356|0.062823|2.176695|1.899048|1.745343|1.547633|3.585866|6.437365|0.119157|4.611754|5.320463|4.057019|7.177021|6.654437|0.243151|6.985009|6.577012|6.237372|7.897980|12.494021|17.661561|8.927006|13.587014|4.938023|5.124270|4.330755|5.431271|0.041666|0.043280|0.045297|0.055849|0.073282|0.050720|0.042011|0.040530|0.042379|0.090421|0.101018|0.102108|0.126789|0.202753|0.137372|0.094038|0.107834|0.094796|0.500000| |1.477211|1.623768|1.818204|2.021945|2.351369|2.648570|2.462057|4.678007|2.873047|0.055656|1.939413|1.706430|1.581502|1.412373|3.218039|5.431257|0.098197|4.320477|4.913077|4.188703|7.428790|4.882537|0.153939|5.962657|6.336078|6.755255|9.466012|12.480642|17.636276|8.858618|13.001130|4.891751|3.770037|3.208908|3.884796|0.038655|0.039562|0.041799|0.050956|0.066209|0.045630|0.038204|0.037386|0.038643|0.085232|0.092016|0.097263|0.129499|0.186430|0.117005|0.094518|0.120458|0.100719|0.302039|0.500000| |1.426835|1.538471|1.715773|1.853567|2.124835|2.279585|2.079850|3.799082|2.502940|0.048240|1.745887|1.558017|1.475797|1.327125|2.654941|4.117477|0.075724|2.999979|3.113063|2.737823|4.832361|3.759523|0.108700|4.707023|5.631420|6.611229|9.464915|9.328937|8.835866|17.554470|16.503550|7.314050|3.342684|2.802158|3.878939|0.037198|0.038469|0.040837|0.048936|0.061408|0.041347|0.036310|0.035236|0.035996|0.069186|0.079147|0.071352|0.089458|0.103405|0.079248|0.066314|0.078350|0.068703|0.174378|0.215060|0.500000| |1.559122|1.690907|1.894848|2.055376|2.361206|2.526453|2.295603|4.158959|2.761861|0.052970|1.929778|1.713324|1.619559|1.447631|2.891228|4.557043|0.084786|3.113066|3.207159|2.693137|4.726136|4.481444|0.130553|5.313143|5.980121|6.339736|8.204054|9.648329|8.825053|17.498911|16.507694|7.091771|4.257258|3.486738|5.566002|0.040238|0.042261|0.044584|0.053950|0.068046|0.045292|0.039810|0.038106|0.039192|0.072760|0.086279|0.073625|0.089397|0.105606|0.084538|0.066053|0.074476|0.066258|0.210329|0.173492|0.300992|0.500000| |1.243429|1.326933|1.450125|1.547905|1.720588|1.826178|1.718238|3.152733|2.118171|0.041468|1.482916|1.350463|1.285858|1.175375|2.038270|3.124214|0.059904|2.287496|2.450722|2.242459|4.140475|2.721601|0.080755|3.044038|3.721603|4.083528|5.016389|5.150845|4.798325|7.212030|16.450618|17.541959|2.553170|2.300651|2.946952|0.032568|0.033877|0.035375|0.041055|0.049036|0.036228|0.032367|0.031219|0.032067|0.053627|0.059150|0.056316|0.065847|0.078981|0.064827|0.055371|0.062966|0.060180|0.118915|0.129482|0.217614|0.170530|0.500000| |1.323168|1.414252|1.545497|1.648887|1.825789|1.928369|1.816114|3.312404|2.248678|0.043966|1.579135|1.438377|1.370086|1.250354|2.118034|3.262314|0.063288|2.304861|2.456719|2.184981|4.009695|2.922766|0.087217|3.155164|3.786452|3.993992|4.767356|5.142863|4.719809|7.202416|16.442928|17.531238|2.869397|2.609190|3.493311|0.034420|0.036262|0.037608|0.043692|0.051900|0.038528|0.034618|0.033005|0.034079|0.054684|0.061411|0.056693|0.064986|0.078573|0.066566|0.054463|0.060053|0.057667|0.126117|0.116497|0.177882|0.209574|0.299161|0.500000| |1.226765|1.314666|1.427047|1.531121|1.685710|1.802537|1.729246|3.206402|2.140384|0.042272|1.486664|1.359636|1.287028|1.180922|1.982410|3.091677|0.060580|2.257447|2.492080|2.276118|4.320976|2.684425|0.082233|2.838633|3.386323|3.548853|4.230656|4.612090|4.417657|5.869940|16.883672|17.647154|2.547779|2.385982|2.917737|0.032118|0.033588|0.034640|0.040002|0.047358|0.036740|0.032564|0.031220|0.032408|0.051971|0.056430|0.055827|0.063271|0.080284|0.067642|0.056325|0.062374|0.062587|0.120971|0.118769|0.147749|0.145574|0.299661|0.299667|0.500000| |2.624624|3.087845|3.826979|4.612556|6.225764|6.755698|5.065662|8.042395|5.652468|0.098492|3.973979|3.158214|2.874548|2.364408|7.031944|9.500990|0.177764|4.550346|3.811035|2.948408|4.659531|8.851257|0.175603|6.628754|8.331914|6.011944|5.452708|6.423872|3.855496|3.355275|5.124162|2.488352|17.596718|8.843559|8.943818|0.064954|0.069269|0.074820|0.107393|0.176433|0.078872|0.063926|0.060489|0.062676|0.140008|0.215641|0.111663|0.118950|0.105989|0.106452|0.077888|0.078242|0.064789|0.114474|0.091554|0.083939|0.102643|0.064419|0.071235|0.063157|0.500000| |2.084747|2.411434|2.715045|3.193277|3.607018|4.180342|4.213439|7.871636|4.935086|0.095153|3.202137|2.732786|2.419981|2.095798|4.191791|7.317173|0.169399|4.124034|4.230740|3.201732|5.433126|6.736133|0.211501|4.588535|5.030899|4.199212|4.306369|5.394954|3.942598|3.431490|5.785241|2.758491|8.773086|17.539959|6.979236|0.052750|0.056893|0.057352|0.072363|0.093034|0.073061|0.057177|0.052979|0.057791|0.097251|0.108889|0.101445|0.099358|0.120139|0.134959|0.083820|0.079635|0.073933|0.134206|0.094547|0.081035|0.102268|0.068154|0.078450|0.072752|0.173103|0.500000| |2.506797|2.946578|3.369885|3.961956|4.369876|4.696781|4.545974|7.621276|5.624619|0.104554|3.864073|3.259241|2.910585|2.460600|4.249413|6.411806|0.144533|3.509346|3.322713|2.641458|4.393503|5.474597|0.144159|4.057441|4.841122|4.000009|3.921998|4.636190|3.197615|2.908495|4.791139|2.376841|8.836749|17.585244|6.961038|0.061911|0.068860|0.068950|0.089263|0.111826|0.084579|0.067869|0.061191|0.066749|0.096154|0.113350|0.089863|0.087380|0.091951|0.101020|0.070918|0.067614|0.061345|0.100837|0.077459|0.071201|0.088821|0.060001|0.068896|0.062223|0.214854|0.302472|0.500000| |2.454877|2.966859|3.429602|4.345977|5.016285|6.305417|6.770406|12.161147|7.390602|0.136359|4.476900|3.570595|3.015838|2.512645|5.604672|9.274901|0.248942|4.693373|4.342807|3.295678|5.305458|6.769073|0.179358|4.455893|5.197443|4.166781|4.061419|4.895131|3.336492|2.857963|4.716234|2.286076|8.624423|17.589114|5.475003|0.061702|0.065967|0.066725|0.088442|0.119776|0.094062|0.067237|0.062741|0.069258|0.123913|0.134312|0.121539|0.108872|0.113401|0.138711|0.089879|0.081945|0.072900|0.106595|0.082896|0.070287|0.083600|0.058180|0.064370|0.060234|0.206630|0.301976|0.304005|0.500000| |2.067527|2.289129|2.671726|2.938127|3.533862|3.681219|3.114548|5.340683|3.695373|0.068287|2.635352|2.262321|2.137325|1.848898|4.137591|6.177844|0.112939|3.610716|3.336414|2.665620|4.408525|6.711316|0.159623|7.215796|8.499652|7.207647|7.200903|8.553625|5.161655|4.991623|6.997014|3.380809|8.701928|5.497781|17.593045|0.052057|0.055668|0.059729|0.077171|0.104926|0.058145|0.050897|0.048094|0.049273|0.095621|0.130956|0.085953|0.100898|0.101383|0.090270|0.067874|0.072428|0.061548|0.145564|0.111999|0.120915|0.174779|0.086420|0.100611|0.081699|0.215340|0.140665|0.142763|0.121689|0.500000| |2.213232|2.467290|2.839402|3.115190|3.573265|3.652144|3.227628|5.468416|3.956229|0.073557|2.845575|2.468021|2.327483|2.013827|3.727875|5.532664|0.109731|3.185326|3.019220|2.434655|4.091267|5.486658|0.139963|4.825202|5.771374|4.929129|4.915370|5.762869|3.894595|3.807403|5.928161|2.964265|8.858116|7.115885|17.588069|0.055006|0.060654|0.063163|0.080352|0.101817|0.063535|0.056112|0.051553|0.053756|0.085927|0.110510|0.078520|0.084904|0.088904|0.085916|0.063337|0.064559|0.057375|0.117908|0.089110|0.091974|0.127518|0.074386|0.089534|0.074507|0.213399|0.177944|0.215106|0.143034|0.303127|0.500000| |1.906966|2.125559|2.417329|2.699397|3.133674|3.405541|3.093117|5.532410|3.674864|0.069575|2.539753|2.204749|2.046536|1.791968|3.729129|6.128524|0.119204|3.654397|3.660432|2.860626|4.888877|6.850235|0.198264|6.011467|6.307081|5.497481|5.945864|7.743153|5.682937|5.413536|8.282144|3.845789|8.733793|6.815866|17.535499|0.048310|0.051926|0.053996|0.067645|0.087847|0.057856|0.049382|0.046243|0.048498|0.087647|0.108241|0.086405|0.097155|0.114071|0.103474|0.072135|0.075285|0.067281|0.186964|0.120666|0.119702|0.186655|0.092807|0.114584|0.094901|0.173677|0.205259|0.167935|0.139378|0.300090|0.302891|0.500000| 1440.725264 -10051.166166 4010.329609 -196.428381 -4796.539674 3354.150649 -1442.389025 2.001155 406180000000000D 447CC6F0E51CD575 43FED2F308B08EF3 41615F6EC0000001 404D7FFFFFFFFFFE 42E10B2B290D7420