Version2.1 2020-12-17T16:25:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)OC(=O)[C@@]23CCC(=O)N2c4ccccc4S3 C14244010 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)OC(=O)[C@@]23CCC(=O)N2c4ccccc4S3 C01[X(C22H23N3O6S2)] 162 C1 549 O=C([C@H](OC(=O)[C@]12CCC(=O)N2c2c(S1)cccc2)C)Nc1cccc(c1)S(=O)(=O)N(C)C O=C([C@H](OC(=O)[C@]12CCC(=O)N2c2c(S1)cccc2)C)Nc1cccc(c1)S(=O)(=O)N(C)C C[C@@H](OC(=O)[C@@]12CCC(=O)N1c3ccccc3S2)C(=O)Nc4cccc(c4)[S](=O)(=O)N(C)C InChIKey=BRLDEIAYZAULJJ-PEBXRYMYSA-N InChI=1S/C22H23N3O6S2/c1-14(20(27)23-15-7-6-8-16(13-15)33(29,30)24(2)3)31-21(28)22-12-11-19(26)25(22)17-9-4-5-10-18(17)32-22/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)/t14-,22+/m1/s1 InChI=1/C22H23N3O6S2/c1-14(20(27)23-15-7-6-8-16(13-15)33(29,30)24(2)3)31-21(28)22-12-11-19(26)25(22)17-9-4-5-10-18(17)32-22/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)/t14-,22+/m1/s1/f/h23H C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)OC(=O)[C@@]23CCC(=O)N2c4ccccc4S3 C01[X(C22H23N3O6S2)] 162 C01 549 O=C([C@H](OC(=O)[C@]12CCC(=O)N2c2c(S1)cccc2)C)Nc1cccc(c1)S(=O)(=O)N(C)C O=C([C@H](OC(=O)[C@]12CCC(=O)N2[C]2[C]([CH][CH][CH][CH]2)S1)C)N[C]1[CH][CH][CH][C]([CH]1)S(=O)(=O)N(C)C C[C@@H](OC(=O)[C@@]12CCC(=O)N1[C]3[CH][CH][CH][CH][C]3S2)C(=O)N[C]4[CH][CH][CH][C]([CH]4)[S](=O)(=O)N(C)C InChIKey=BRLDEIAYZAULJJ-PEBXRYMYSA-N InChI=1S/C22H23N3O6S2/c1-14(20(27)23-15-7-6-8-16(13-15)33(29,30)24(2)3)31-21(28)22-12-11-19(26)25(22)17-9-4-5-10-18(17)32-22/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)/t14-,22+/m1/s1 InChI=1/C22H23N3O6S2/c1-14(20(27)23-15-7-6-8-16(13-15)33(29,30)24(2)3)31-21(28)22-12-11-19(26)25(22)17-9-4-5-10-18(17)32-22/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)/t14-,22+/m1/s1/f/h23H 3726.0313018276 -2254.0197489 1-A 26062.9487 128 421 549 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2.3148 3.2626 1.5032 3.8798 2.1349 2.2543 2.6012 1.9133 2.7088 1.2172 3.7903 1.6550 2.9033 3.4195 2.9079 1.3703 1.5849 1.6187 1.9458 1.7837 3.9451 2.7919 1.7539 2.3043 2.1256 2.0736 1.5160 1.4819 2.3885 6.5758 1.4881 1.8070 4.9849 1.3856 1.4542 2.1272 1.1714 1.0911 1.1663 2.3017 1.0532 1.0471 1.0679 1.0479 1.5202 1.7056 1.0993 2.0666 1.0595 2.0919 6.1098 5.9476 4.2115 5.1085 9.1052 12.3653 12.7970 1.0500 1.0520 1.0357 1.0683 1.0672 1.0888 1.0920 1.0893 1.1027 1.0991 1.1045 1.1036 1.1002 1.1004 1.0878 1.0929 1.0913 1.0975 1.0923 1.0947 1.0948 1.0939 1.0782 0.0001 0.0004 0.0015 0.0020 0.0050 0.0144 0.0093 0.0208 0.0181 0.0156 0.0290 0.0348 0.0463 0.0579 0.0631 0.0871 0.0486 0.1214 0.0289 0.0569 0.1396 0.0709 0.0476 0.1128 0.2448 0.2281 0.2069 0.2456 0.3114 0.2964 0.6445 0.6333 0.6112 0.3125 0.6251 0.8352 0.6184 0.6100 1.3333 0.4679 0.5452 0.7802 1.2301 0.4559 0.2682 1.1945 0.6369 1.1043 1.4396 0.9811 1.5566 1.5978 1.2199 1.9353 1.8292 0.9955 2.2760 1.4579 1.6915 2.6451 1.7172 2.1423 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2.8243 66.8971 21.8314 0.3389 3.6809 11.7036 102.5941 28.2681 44.6964 3.6958 2.9788 15.7216 19.4094 31.9425 3.5936 32.2298 17.4777 223.1066 20.7102 6.0288 17.5728 57.6505 25.6505 43.8631 15.4100 5.6198 1.8910 22.4455 8.5495 5.5810 10.9447 2.2629 5.4478 155.7640 2.9756 1.7502 5.6654 0.3797 7.6029 0.8252 12.9962 2.2364 15.4083 25.3013 10.8352 34.1349 3.7863 35.6726 51.5744 2.5648 54.4686 8.9578 245.8411 39.6504 61.2064 9.3796 131.4445 38.2420 29.7345 13.4248 25.7341 323.3349 123.4821 243.2282 46.2128 161.4403 2.8913 92.7378 112.9511 180.1347 12.7875 47.4984 396.5558 3.1184 11.6603 28.3693 4.2237 8.1464 0.2807 21.2518 4.6695 10.5001 2.1425 1.4659 137.5907 115.4853 53.2459 109.8437 14.9988 460.9207 4.0014 13.3159 11.8198 122.5397 306.5751 403.6118 226.6350 20.9682 66.7485 15.9370 6.2789 10.4050 6.2772 2.3788 81.0604 34.1201 14.0215 13.5918 7.8063 4.2849 3.4752 0.8695 15.3479 11.2364 30.9922 3.2740 1.4314 0.4428 2.0169 36.8424 1.8760 1.0615 2.3157 0.6102 2.6911 1.5139 1.3557 0.5392 2.2172 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62.3488 113.0475 57.9296 79.7273 36.6355 47.7700 54.9653 96.1196 81.9773 243.6984 38.2307 86.4987 66.5457 68.4145 43.6817 0.7497 0.7414 0.7459 0.6931 0.7154 0.7350 0.7379 0.7056 0.7500 0.7197 0.7434 0.7426 0.7500 0.5330 0.7481 0.3477 0.6357 0.7470 0.5692 0.2644 0.5368 0.6417 0.2789 0.4584 0.4073 0.5289 0.5359 0.4035 0.4721 0.1171 0.3165 0.2090 0.0599 0.6475 0.3168 0.3851 0.0764 0.4986 0.7354 0.6611 0.5727 0.6226 0.1538 0.1402 0.5690 0.7245 0.0433 0.2195 0.2107 0.6513 0.0623 0.6111 0.1509 0.1341 0.1210 0.4459 0.5635 0.6383 0.1095 0.2209 0.3868 0.4519 0.2489 0.7449 0.4827 0.5224 0.4395 0.1246 0.6720 0.2096 0.7273 0.6693 0.7318 0.4825 0.5511 0.4901 0.7065 0.3187 0.1472 0.2703 0.1298 0.7500 0.5239 0.7497 0.7499 0.7297 0.1281 0.7344 0.6735 0.6296 0.6166 0.7479 0.6862 0.1485 0.6075 0.0023 0.4507 0.5656 0.7448 0.7314 0.2162 0.6678 0.5571 0.7440 0.4460 0.2132 0.7144 0.3000 0.7001 0.4923 0.7249 0.6600 0.1580 0.6261 0.2488 0.6732 0.7165 0.6040 0.7425 0.7022 0.6702 0.6522 0.7493 0.7473 0.7499 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0.8334 0.4616 0.8236 0.6598 0.8405 0.7952 0.2728 0.7700 0.3984 0.8047 0.8348 0.7531 0.8522 0.8250 0.8025 0.7895 0.8567 0.8554 0.8571 0.8550 0.6758 0.7212 0.8395 0.6427 0.8256 0.5665 0.6916 0.8432 0.6432 0.7465 0.4336 0.6059 0.5187 0.4369 0.1248 0.0443 0.2500 0.3469 0.4852 0.8565 0.5057 0.8571 0.6078 0.6887 0.7217 0.8392 0.8133 0.8494 0.8531 0.5971 0.2614 0.4001 0.3448 0.3370 0.3880 0.2342 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 1 6 8 7 6 6 6 6 6 6 16 8 8 7 6 6 8 6 8 6 6 6 6 8 7 6 6 6 6 6 6 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 5985.4911 44806.9124 45662.3048 0.99997 -0.00209 0.00697 0.00198 0.99987 0.01603 -0.00700 -0.01601 0.99985 1 0.01447 0.00193 0.00190 0.30152 0.04028 0.03952 7.23 16.26 27.72 37.72 53.95 76.55 85.61 111.08 120.96 126.44 133.29 146.35 163.66 206.24 239.61 263.77 272.27 281.34 296.93 320.73 321.74 342.41 360.98 368.12 378.56 417.79 432.73 440.93 473.46 508.54 524.99 555.09 563.44 586.61 588.58 632.82 648.29 659.24 668.91 691.16 704.18 747.42 772.12 782.47 788.73 813.06 839.73 888.45 912.77 925.56 945.96 965.32 1019.83 1056.87 1076.10 1091.91 1107.71 1127.59 1161.92 1163.70 1185.21 1194.89 1215.71 1225.27 1304.31 1322.59 1389.11 1391.34 1418.34 1430.99 1470.28 1472.17 1498.71 1515.92 1523.80 1527.39 1536.32 1544.08 1564.70 1603.54 1612.73 1626.00 1666.83 1674.38 1687.73 1693.43 1717.54 1720.39 1752.62 1754.39 1767.87 1774.39 1778.81 1784.86 1816.27 1829.93 1848.21 1852.17 1873.83 1900.30 1913.22 1918.53 1945.32 1956.01 1969.93 2014.10 2054.93 2060.30 2085.94 2098.64 2100.35 2119.86 2123.42 2144.05 2189.97 2229.03 2255.16 2271.03 2289.23 2327.24 2331.32 2334.95 2345.79 2361.71 2364.15 2371.43 2373.16 2378.03 2380.69 2387.68 2396.24 2493.12 2568.97 2579.17 2579.38 2596.11 2835.29 2882.35 2911.36 4588.50 4598.06 4641.53 4665.29 4696.98 4712.92 4720.86 4727.05 4746.59 4766.16 4766.25 4804.11 4830.20 4833.67 4843.35 4862.42 4866.21 4880.68 4882.94 4915.72 4939.83 4982.82 5566.00 0.468508 0.497476 0.498420 0.403524 -2253.551241 -2253.522273 -2253.521328 -2253.616225 3.182861D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)OC(=O)[C@@]23CCC(=O)N2c4ccccc4S3 C14244010 RHF 6-31G(d) (6D,10F) C1 489.102829 |X|Y|Z| 45.250877 39.575511 149.830182 64.498698 23 6 7 8 16 19 2 1 1 |36.858105| |12.510089|36.858105| |8.813125|17.610225|0.500000| |7.572773|12.434508|0.245310|36.858105| |5.890471|7.989386|0.166149|15.915356|73.516695| |5.991723|7.875477|0.206313|14.046046|14.944827|53.358707| |4.283222|5.022697|0.133704|7.651066|11.601004|18.374202|36.858105| |3.594423|4.196693|0.108609|6.271110|11.633352|10.511242|13.700506|36.858105| |2.889486|3.226010|0.085448|4.316129|7.981865|6.978168|7.940276|13.752967|36.858105| |2.670406|2.897855|0.078682|3.672101|6.433210|6.171021|6.821847|7.891834|13.770645|36.858105| |2.926709|3.140108|0.086998|3.912295|6.451206|7.074836|7.937431|6.890960|8.007147|13.746432|36.858105| |3.667158|4.010927|0.111879|5.186028|7.956674|10.859535|13.719621|7.933949|6.902899|7.898757|13.766627|36.858105| |2.474171|2.566753|0.072395|2.977038|4.900271|5.073532|4.727657|4.194790|4.734903|6.940605|10.719225|6.975814|388.023441| |2.573902|2.658209|0.076932|2.979654|4.754842|5.136734|4.446559|3.706096|3.850741|4.964640|7.368354|6.552780|94.742280|73.516695| |2.127912|2.229963|0.062840|2.567951|4.332663|4.208632|3.845865|3.689654|4.402185|6.430949|7.359801|5.003202|94.850037|13.590382|73.516695| |2.392158|2.389442|0.066092|2.729919|4.562964|4.475043|3.994398|3.632465|4.042719|5.426103|6.930168|5.344338|82.615402|13.731381|13.731327|53.358707| |2.657339|2.564352|0.070555|2.875934|4.730913|4.696715|3.990039|3.473019|3.608196|4.414409|5.670177|5.216215|51.044464|11.701734|8.895093|17.801229|36.858105| |2.174915|2.173392|0.059230|2.498478|4.307951|3.953289|3.531927|3.446843|4.025558|5.307913|5.641423|4.320906|50.991212|8.891891|11.711017|17.792134|7.741869|36.858105| |8.097484|13.524509|0.259764|7.952278|12.641616|7.245104|3.924367|3.580972|2.841755|2.520657|2.637872|3.193480|15.605144|3.987395|3.480500|2.800640|2.175537|1.911810|73.516695| |5.294704|8.157810|0.206331|6.525983|11.114877|6.485595|3.697950|3.496159|2.804278|2.465725|2.538293|3.013519|15.012715|3.822757|3.406717|2.648575|2.014428|1.817249|25.533599|36.858105| |4.627417|7.198909|0.211322|6.479338|10.450791|7.016540|4.014655|3.758551|2.999540|2.640892|2.730047|3.261397|16.016391|4.102022|3.645448|2.761439|2.073212|1.879880|15.284834|16.089907|73.516695| |4.068069|5.184753|0.131439|4.525512|8.456492|4.800554|2.944960|2.903401|2.422756|2.135222|2.155126|2.469419|12.995774|3.276869|2.997898|2.324568|1.759707|1.620574|14.367245|12.453999|14.033529|36.858105| |3.794836|4.559961|0.109584|4.405052|9.133175|4.617609|2.934756|3.013689|2.523949|2.181215|2.154701|2.432074|12.876976|3.186613|2.984477|2.330990|1.759712|1.650065|11.489603|7.573301|9.988896|12.342361|36.858105| |3.150698|3.839634|0.096267|4.023029|8.491628|4.423529|2.933234|3.136500|2.661822|2.262832|2.186647|2.423386|12.972826|3.176330|3.051326|2.319698|1.719455|1.654263|8.597095|6.046944|9.510132|7.961511|12.408275|36.858105| |2.849094|3.489407|0.092271|3.491751|6.819955|4.002328|2.646894|2.760194|2.384765|2.075799|2.029109|2.242211|12.248327|3.037266|2.899063|2.169273|1.601983|1.535689|7.725175|5.843093|9.894730|8.084251|7.914096|12.547925|36.858105| |2.437998|2.918622|0.078757|2.960339|5.703926|3.526957|2.394725|2.519332|2.232374|1.958747|1.900649|2.065510|11.594129|2.868480|2.777558|2.047344|1.498863|1.455925|6.137509|4.399239|7.898873|5.445814|5.367743|7.821190|15.992047|73.516695| |3.196636|3.988059|0.107268|3.708731|6.907214|4.192057|2.673271|2.684592|2.293359|2.028031|2.025888|2.277664|12.316436|3.100160|2.883930|2.182166|1.628916|1.527326|9.385701|7.788955|12.319470|13.219610|8.130363|8.215695|13.899418|14.847421|53.358707| |2.865110|3.451797|0.096838|3.111602|5.572093|3.659821|2.348007|2.316977|2.017306|1.822982|1.839988|2.056836|11.418798|2.906447|2.682613|2.023851|1.512815|1.410716|7.731059|5.839982|9.865219|7.930133|5.320757|5.168651|7.612817|11.431755|18.491804|36.858105| |2.430221|2.877001|0.082294|2.669055|4.753771|3.255087|2.138885|2.121920|1.883026|1.717453|1.727896|1.905243|10.843264|2.763037|2.574474|1.911766|1.417047|1.334623|6.043619|4.327139|7.912052|5.127160|3.972109|4.158284|6.045000|10.955100|10.411082|13.808955|36.858105| |2.213588|2.544570|0.073635|2.328640|4.089221|2.890646|1.907724|1.872924|1.681126|1.555946|1.576850|1.730690|10.055986|2.580892|2.390786|1.780944|1.324034|1.241050|5.216104|3.528896|6.390973|4.010087|3.207271|3.230896|4.233063|7.662306|6.980752|8.016578|13.706982|36.858105| |2.283079|2.569482|0.074429|2.286078|3.975273|2.826615|1.846465|1.791445|1.604484|1.494045|1.526646|1.684075|9.796547|2.528285|2.314148|1.748566|1.311565|1.215158|5.299999|3.464146|6.051914|3.937109|3.112543|2.971024|3.674217|6.326675|6.249624|6.911012|7.887879|13.765724|36.858105| |2.633399|2.955435|0.084687|2.547478|4.420343|3.081240|1.977115|1.905293|1.686047|1.562782|1.603139|1.786984|10.219682|2.637936|2.392811|1.834041|1.387140|1.272423|6.331519|4.106938|6.800800|4.852304|3.646951|3.280547|3.949669|6.406802|7.180572|7.914366|6.793429|7.915373|13.704695|36.858105| |3.022518|3.516252|0.098684|3.012675|5.294994|3.532218|2.236227|2.167510|1.888360|1.725223|1.761210|1.979512|11.040789|2.831271|2.575034|1.976448|1.494186|1.372878|8.020630|5.565029|8.738664|7.427882|4.927145|4.270234|5.309312|8.006847|11.198440|13.703203|7.907723|6.927958|8.004078|13.829747|36.858105| |3.794731|4.322489|0.114034|3.527442|6.268827|3.944831|2.440759|2.352531|2.016399|1.828102|1.871190|2.128490|11.616393|2.966171|2.677888|2.104825|1.611214|1.463364|11.004787|6.901713|9.190317|10.356400|6.574743|4.721812|5.023032|7.087963|9.909889|7.206293|4.805025|4.214137|4.664778|6.730861|10.694235|388.023441| |17.572811|8.818636|0.210930|6.835495|9.247105|8.701602|4.621543|3.695101|3.001727|2.847348|3.220736|4.133177|19.529655|5.157302|4.104093|3.643628|3.054578|2.385298|10.244965|4.278468|7.101093|3.364451|3.175823|2.754188|2.518532|3.912359|3.771912|2.522126|2.194597|2.019124|2.071827|2.341838|2.628101|22.379758|0.500000| |17.590228|8.856736|0.173310|6.961895|11.022687|7.227783|4.062349|3.574182|2.890392|2.632548|2.817973|3.438311|16.865981|4.286669|3.656853|3.179765|2.592903|2.166156|12.979350|4.883766|7.378740|4.009338|4.000018|3.254559|2.843043|4.309916|4.245395|2.746726|2.323856|2.107346|2.166386|2.498018|2.883414|26.333523|0.300269|0.500000| |17.595346|8.885978|0.212497|5.517973|8.143271|6.289444|3.498285|3.007679|2.493382|2.334601|2.548120|3.105835|15.776817|4.146543|3.433497|2.927617|2.382702|1.960583|13.106160|5.003380|7.658883|4.015045|3.612299|2.955553|2.745594|4.193329|4.293162|2.914801|2.462326|2.280319|2.403027|2.818879|3.187637|28.965815|0.300583|0.300531|0.500000| |6.082273|7.693652|0.235667|9.470630|10.876311|26.054085|9.331862|5.778622|4.306291|4.075014|4.911462|7.592819|26.730126|7.163867|5.464576|4.463020|3.497629|2.817468|8.958470|4.506158|8.810397|3.330286|3.092873|2.933820|2.740824|4.330889|3.992363|2.634444|2.361239|2.126901|2.097060|2.282514|2.578105|20.211145|0.191901|0.139416|0.134807|0.500000| |3.685272|4.431154|0.110935|6.841019|14.828961|9.553909|8.918421|17.824685|8.923811|5.636753|4.969707|5.651491|24.147041|5.482408|5.461272|4.135168|2.958104|2.938107|7.028269|3.927676|7.404282|3.285489|3.518621|3.741877|3.171331|5.074254|4.112094|2.536077|2.295156|1.995259|1.897935|2.028646|2.344499|18.265692|0.100942|0.104031|0.085639|0.144664|0.500000| |2.593764|2.882027|0.075918|3.746030|7.218884|5.653991|5.656847|8.964645|17.728202|8.941425|5.676280|4.968470|27.789299|5.735038|6.834417|4.723786|3.099842|3.613004|4.670702|2.628750|4.955381|2.333272|2.475539|2.666346|2.372934|3.993316|3.044777|1.961184|1.840873|1.639492|1.556368|1.627912|1.823037|13.773716|0.073544|0.073049|0.063025|0.098602|0.216341|0.500000| |2.325911|2.491868|0.067933|3.049065|5.403170|4.917128|4.929381|5.622753|8.885921|17.761802|8.903865|5.632246|46.995018|8.118474|12.988674|7.318715|4.127422|5.759316|3.932760|2.178043|4.125816|1.922482|1.969463|2.054117|1.898483|3.220791|2.511059|1.672087|1.589354|1.448490|1.389478|1.444468|1.582767|11.835673|0.068500|0.064011|0.057395|0.092466|0.123964|0.214341|0.500000| |3.815049|4.055227|0.117134|4.849972|7.147423|9.979278|8.882178|5.636523|4.969517|5.640783|8.951185|17.738375|47.664114|13.574322|8.261820|7.169449|5.541516|4.027987|5.622225|2.944674|5.650131|2.400850|2.319588|2.273067|2.133464|3.491634|3.001520|2.022110|1.874415|1.720639|1.689156|1.795742|1.971194|15.056344|0.124135|0.096379|0.090839|0.229517|0.124021|0.107822|0.124256|0.500000| |2.406151|2.292008|0.062832|2.522775|4.207245|3.983240|3.287921|2.955101|3.081573|3.655884|4.356528|4.036043|38.348407|8.959708|7.532071|12.565163|17.604184|7.195192|3.516574|1.832226|3.325139|1.622433|1.628754|1.587870|1.481321|2.471948|2.048077|1.403974|1.318050|1.237666|1.229734|1.299324|1.392359|10.675559|0.076041|0.065879|0.060772|0.082173|0.071777|0.075837|0.098221|0.117656|0.500000| |2.996632|2.854457|0.077012|3.264661|5.381945|5.343050|4.576363|3.939890|3.990552|4.706829|5.950701|5.819393|43.682731|9.802094|7.847922|12.216598|17.504045|6.801529|4.256661|2.186419|3.964629|1.900010|1.916110|1.859583|1.711203|2.824338|2.367322|1.600532|1.486208|1.380866|1.369203|1.457868|1.582405|12.286146|0.096677|0.082271|0.073196|0.107956|0.092714|0.093969|0.117351|0.165646|0.300287|0.500000| |2.755037|2.653375|0.074380|2.911707|4.679215|4.819501|3.953290|3.314529|3.337533|4.004598|5.326939|5.273074|49.080717|13.907960|8.392139|12.432169|17.675152|5.645717|3.957428|2.058467|3.787139|1.783409|1.758528|1.709906|1.608052|2.672150|2.246434|1.543536|1.447267|1.357803|1.349218|1.426926|1.530818|11.695449|0.089297|0.073101|0.069146|0.103478|0.078898|0.079419|0.102529|0.171017|0.301923|0.298611|0.500000| |2.305972|2.303900|0.061860|2.700034|4.730021|4.240242|3.863231|3.891074|4.639568|5.978797|5.896289|4.556963|43.539570|7.827841|9.793997|12.215719|6.820373|17.508368|3.605790|1.919399|3.508664|1.712759|1.763929|1.769261|1.622688|2.723489|2.185248|1.469820|1.382725|1.278567|1.250626|1.314691|1.427698|10.906317|0.069908|0.064633|0.057140|0.081921|0.091710|0.115843|0.176055|0.113227|0.172090|0.196127|0.139722|0.500000| |2.038450|2.006358|0.054628|2.261678|3.906162|3.509113|3.021916|2.935987|3.316332|4.094789|4.340915|3.585976|38.357195|7.539800|8.974059|12.563174|7.175938|17.603616|3.160934|1.683443|3.072145|1.513772|1.542112|1.536593|1.429258|2.411357|1.939888|1.323129|1.252547|1.170814|1.151262|1.205982|1.294995|9.829214|0.062091|0.056634|0.051526|0.070049|0.071335|0.084577|0.121290|0.095881|0.222286|0.170775|0.146978|0.300246|0.500000| |2.003886|2.032442|0.055723|2.333326|4.049041|3.669326|3.282191|3.285657|3.958833|5.322368|5.306804|3.952252|49.118828|8.400186|13.944945|12.429328|5.644742|17.677395|3.212520|1.739910|3.221815|1.559740|1.586679|1.607818|1.501433|2.549150|2.021230|1.374608|1.309385|1.217836|1.186766|1.235301|1.330194|9.989707|0.060314|0.055278|0.050492|0.072628|0.078266|0.101134|0.176055|0.101297|0.146946|0.139640|0.127330|0.298689|0.301874|0.500000| |3.350133|3.788375|0.092868|3.595451|7.254747|3.917625|2.535931|2.599803|2.232025|1.956009|1.931613|2.152266|11.738712|2.906735|2.734642|2.145503|1.623078|1.526809|9.097492|5.595189|7.785476|8.853663|17.599534|8.792566|6.663610|8.741493|9.258695|4.992057|3.789076|3.143204|3.106289|3.672006|4.858532|47.072414|0.078812|0.099146|0.091056|0.074054|0.082664|0.061247|0.049602|0.057422|0.042087|0.048897|0.045008|0.045225|0.039923|0.040816|0.500000| |4.419804|5.229647|0.118293|5.188340|11.443104|5.182044|3.253250|3.339174|2.743545|2.349399|2.323874|2.649110|13.728798|3.380291|3.151083|2.504918|1.906125|1.774327|13.108802|7.303214|9.565420|8.669904|17.652427|8.654073|5.701759|7.568719|7.939553|4.237486|3.317280|2.772768|2.728541|3.176855|4.089655|39.549801|0.100688|0.135660|0.112834|0.094268|0.109676|0.074212|0.058417|0.069800|0.048888|0.058340|0.052666|0.053113|0.046009|0.047031|0.300451|0.500000| |2.760827|3.223443|0.081224|3.411157|7.205722|3.867337|2.639748|2.870030|2.503188|2.132932|2.036524|2.215837|12.189698|2.961361|2.892337|2.198163|1.623228|1.584833|6.920404|4.530589|7.306059|5.714292|8.625443|17.623941|8.878867|12.586632|8.161681|4.285238|3.638753|2.915590|2.686577|2.917341|3.645109|28.250656|0.068096|0.080350|0.072282|0.071447|0.094484|0.070946|0.054421|0.057569|0.041914|0.048675|0.044561|0.047186|0.041049|0.042920|0.217814|0.190794|0.500000| |3.299223|4.144920|0.103410|4.669676|10.316485|5.101618|3.419252|3.762588|3.119287|2.583134|2.468425|2.746882|14.322039|3.478715|3.364253|2.535257|1.866025|1.807043|8.817258|6.170875|10.424720|6.644402|8.732325|17.551044|8.939543|11.691191|9.002258|4.472599|3.752878|2.962883|2.715904|2.954776|3.737112|29.019724|0.081070|0.094140|0.083645|0.091550|0.129790|0.086926|0.064428|0.070347|0.047484|0.056273|0.051378|0.053959|0.046219|0.048840|0.173611|0.217019|0.301584|0.500000| |2.293825|2.727465|0.077753|2.614637|4.708230|3.223665|2.154131|2.167806|1.937317|1.758989|1.753082|1.916497|10.965016|2.776860|2.623167|1.922590|1.413136|1.347282|5.603524|4.003181|7.582861|4.585283|3.780198|4.242754|6.381250|13.163272|9.354859|8.940932|17.783667|8.847003|5.616943|4.915714|5.637650|28.404835|0.058119|0.061238|0.063553|0.064446|0.065364|0.053001|0.045356|0.051933|0.036466|0.041092|0.039956|0.038792|0.035020|0.036898|0.098823|0.088374|0.104571|0.108542|0.500000| |1.990346|2.267001|0.065778|2.108866|3.704780|2.660314|1.780403|1.754639|1.593014|1.482950|1.499283|1.630667|9.633558|2.471771|2.306097|1.703334|1.260089|1.189124|4.534057|3.008938|5.543633|3.318800|2.767929|2.848413|3.647078|6.865922|5.627805|5.686877|8.939706|17.724710|8.932856|5.638957|4.981056|24.215669|0.051062|0.052725|0.056660|0.054470|0.051603|0.043308|0.038578|0.045023|0.032785|0.036324|0.035889|0.033920|0.031191|0.032546|0.075427|0.067579|0.072781|0.073737|0.213936|0.500000| |2.082391|2.299029|0.066807|2.053905|3.557943|2.573698|1.694569|1.640118|1.481935|1.391337|1.425030|1.563283|9.239514|2.391618|2.187958|1.654120|1.241353|1.149626|4.633931|2.939082|5.162222|3.246706|2.661986|2.546288|3.049064|5.321295|4.964488|4.972320|5.626112|8.920487|17.724865|8.919368|5.678470|27.306754|0.053071|0.054905|0.061160|0.053340|0.047883|0.039941|0.036113|0.043753|0.032453|0.035845|0.035531|0.032749|0.030358|0.031218|0.074277|0.066134|0.064984|0.065421|0.123685|0.215441|0.500000| |2.617325|2.845851|0.081361|2.419990|4.172277|2.940242|1.884883|1.803886|1.601533|1.494367|1.540828|1.717637|9.897303|2.563579|2.310319|1.788927|1.361656|1.239865|6.016093|3.701611|6.040838|4.239723|3.311773|2.913152|3.339657|5.412134|5.823770|5.629543|4.911153|5.631380|8.873542|17.725085|8.914601|44.616500|0.064750|0.068991|0.079437|0.060885|0.052993|0.042849|0.038425|0.048265|0.035565|0.039738|0.038985|0.035532|0.032780|0.033338|0.093976|0.082385|0.072933|0.073539|0.106901|0.123969|0.214437|0.500000| 2251.289421 -12758.524428 4769.562365 -242.378726 -5980.051368 3726.031570 -2254.019798 2.001213 4091A0000000003D 451CFBF76ACBAEB3 449CFBF76ACBAEB3 41E884AB2DFFFFFF 37C16C2614EA0800 43BAB0CD94DBCBE6