Version2.0 2020-02-12T07:14:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)OC[C@@H](C[NH+](Cc1ccccc1)Cc2c(nn(c2Oc3ccccc3)C)c4ccccc4)O C36316198 RHF 6-31G(d) (6D,7F) CC(C)OC[C@@H](C[NH+](Cc1ccccc1)Cc2c(nn(c2Oc3ccccc3)C)c4ccccc4)O C01[X(C30H36N3O3)] 210 C1 612 CC(OC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O)C CC(OC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O)C CC(C)OC[C@H](O)C[NH+](Cc1ccccc1)Cc2c(Oc3ccccc3)n(C)nc2c4ccccc4 InChIKey=OUDWFLMJESDHDZ-AREMUKBSSA-O InChI=1S/C30H35N3O3/c1-23(2)35-22-26(34)20-33(19-24-13-7-4-8-14-24)21-28-29(25-15-9-5-10-16-25)31-32(3)30(28)36-27-17-11-6-12-18-27/h4-18,23,26,34H,19-22H2,1-3H3/p+1/t26-/m1/s1 InChI=1/C30H35N3O3/c1-23(2)35-22-26(34)20-33(19-24-13-7-4-8-14-24)21-28-29(25-15-9-5-10-16-25)31-32(3)30(28)36-27-17-11-6-12-18-27/h4-18,23,26,34H,19-22H2,1-3H3/p+1/t26-/m1/s1/fC30H36N3O3/h33H/q+1 CC(C)OC[C@@H](C[NH+](Cc1ccccc1)Cc2c(nn(c2Oc3ccccc3)C)c4ccccc4)O C01[X(C30H36N3O3)] 210 C01 612 CC(OC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O)C CC(OC[C@@H](C[NH](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)Cc1ccccc1)O)C CC(C)OC[C@H](O)C[NH](Cc1ccccc1)Cc2c(Oc3ccccc3)n(C)nc2c4ccccc4 InChIKey=ICCWGIIMRFUUND-AREMUKBSSA-N InChI=1S/C30H36N3O3/c1-23(2)35-22-26(34)20-33(19-24-13-7-4-8-14-24)21-28-29(25-15-9-5-10-16-25)31-32(3)30(28)36-27-17-11-6-12-18-27/h4-18,23,26,33-34H,19-22H2,1-3H3/t26-/m1/s1 InChI=1/C30H36N3O3/c1-23(2)35-22-26(34)20-33(19-24-13-7-4-8-14-24)21-28-29(25-15-9-5-10-16-25)31-32(3)30(28)36-27-17-11-6-12-18-27/h4-18,23,26,33-34H,19-22H2,1-3H3/t26-/m1/s1 3890.6170874770 -1544.7273327 1-A 20009.1360 130 482 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72456 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1762.6378 1779.6061 1787.1561 1797.2298 1806.0664 1809.1245 1816.8031 3186.7467 3196.6163 3212.5864 3218.6763 3226.7951 3244.5115 3253.8185 3278.0204 3278.9056 3280.9091 3284.5023 3287.4070 3287.7314 3294.3798 3335.9042 3350.1675 3351.3430 3352.2077 3355.6234 3356.3111 3358.7090 3361.7222 3368.3748 3373.5001 3377.1033 3379.4045 3381.1807 3386.9333 3390.8583 3391.5006 3397.1265 3397.2299 3402.4406 3404.3763 3683.7952 4059.0480 5.2639 4.6478 4.7424 2.9399 4.3977 4.0330 4.0120 5.0711 4.6096 3.9964 4.3562 3.9934 4.5154 2.2279 1.5606 3.3857 5.0371 3.5298 3.3438 3.8736 4.3143 3.0295 3.1614 1.1690 3.5931 2.7104 3.4766 3.8467 1.4743 3.6059 3.0385 4.9352 3.8975 2.2841 2.8214 3.4644 4.4887 3.0416 3.0170 2.9427 3.0228 4.0529 2.6630 5.5149 1.2155 2.4550 3.8718 3.0670 3.1922 2.7952 7.0089 3.0887 4.5883 3.9919 6.1359 6.2921 6.2734 6.9495 5.7689 2.4123 2.2411 3.3559 2.4528 5.5181 1.6205 1.5645 2.0599 3.4369 2.8994 4.0233 3.6317 3.5016 1.2507 4.2550 1.4934 1.9852 1.2676 2.2555 2.0490 1.2326 1.3986 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1.6876 2.2197 1.8234 2.4890 1.7085 3.5279 3.1801 1.9305 5.9027 9.9922 14.5838 9.9436 9.7192 10.8354 10.9773 9.8890 10.7721 6.3842 6.4779 6.3172 6.3510 6.6701 6.8168 6.4503 6.7393 6.9766 6.7591 7.0195 7.0290 6.7796 7.0548 7.2442 7.3155 7.2109 7.2802 7.2753 7.3111 7.2695 7.3772 7.2804 7.2933 7.3406 7.3401 7.3467 7.4048 7.4068 7.4219 7.4540 7.4720 7.4956 7.5057 8.6185 10.3486 0.0762 0.0422 0.0942 0.2551 0.0432 0.2446 0.1279 0.0452 0.1376 0.5558 0.3907 1.8678 0.7256 0.3725 0.0652 1.6640 0.7963 1.3775 9.4418 0.6339 0.6860 1.3765 1.1871 0.5586 2.0563 3.2977 0.4499 1.8921 0.9637 0.4260 0.3912 5.0542 3.9431 1.7234 3.7759 1.4004 3.1451 3.0637 1.2904 0.2016 0.2035 11.0243 12.6675 1.0025 91.9209 35.6041 12.3643 25.0082 1.0946 8.9619 0.7761 9.4815 2.9954 5.8403 0.2336 0.3323 0.0413 5.2974 9.3008 9.4390 33.6359 13.0171 28.7347 4.8931 43.6947 92.7820 17.1793 43.1263 11.2996 9.2262 7.1828 22.7205 0.4747 22.9830 18.6255 34.5458 1.2539 75.3615 16.2969 1.4613 5.2994 2.5055 56.4443 45.9204 8.3506 24.1485 1.8485 2.1803 4.4667 4.2018 0.0563 1.1022 0.3435 23.6246 4.3133 2.6709 0.3615 13.0924 2.0685 0.1779 16.6214 26.3570 7.2942 1.0381 1.1999 12.7331 2.1563 2.4069 0.8386 5.5367 40.1476 18.4642 33.3147 76.5987 102.8386 7.2327 98.5530 3.3007 0.1691 75.2995 15.6244 35.6292 52.3265 2.2072 2.0597 111.0655 15.5860 12.8027 76.9308 44.4505 24.2175 49.2306 1.7976 11.1566 102.1670 0.2005 7.7686 47.6539 36.4112 15.4641 7.3691 127.7225 8.9195 99.5914 11.1736 36.7227 28.9394 86.5245 13.9249 11.5987 12.1495 4.6723 1.1117 0.5340 20.0508 7.8285 6.1811 4.3999 7.8303 10.5645 14.2954 4.1807 151.5933 5.6873 7.9174 99.3094 114.4990 371.7045 23.3431 1.2149 21.9584 14.4144 1.0417 3.1246 7.1387 48.9895 19.8596 5.2810 12.0855 68.0868 34.4915 4.5278 35.3155 3.2057 4.7786 38.7174 21.6209 55.7730 8.8511 3.9469 5.8007 1.6984 9.3515 3.5974 8.7785 6.4722 1.2491 3.3584 8.5457 2.3038 2.6298 21.0644 16.3246 15.2144 12.8369 11.6501 10.1669 6.3780 85.8563 184.6556 2.4562 2.0901 3.1158 0.5164 0.6605 1.0539 2.6036 0.6422 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 18857.7049 22219.3629 30041.6011 0.99622 0.08671 -0.00439 -0.08673 0.99623 -0.00320 0.00410 0.00357 0.99999 1 0.00459 0.00390 0.00288 0.09570 0.08122 0.06007 15.47 18.35 25.12 28.84 32.77 36.17 49.07 50.74 65.80 72.02 86.65 96.39 109.20 123.31 128.54 151.24 160.17 173.69 219.18 236.93 270.27 274.78 335.40 338.06 343.15 368.26 375.95 383.65 407.26 422.45 447.48 484.60 509.13 530.06 563.94 591.08 605.95 649.91 654.25 654.82 662.39 664.89 692.00 724.99 729.23 761.83 768.20 794.82 798.20 821.90 886.56 923.86 952.91 957.30 965.33 974.20 977.26 1043.38 1054.89 1102.26 1116.97 1124.84 1134.05 1173.70 1204.80 1226.29 1239.83 1269.01 1288.74 1295.87 1298.51 1328.22 1350.35 1355.39 1382.44 1386.62 1392.75 1420.40 1459.53 1463.68 1474.25 1479.15 1502.37 1507.80 1518.55 1538.94 1565.97 1568.90 1569.03 1586.13 1587.49 1597.23 1598.17 1616.63 1620.52 1626.18 1628.63 1633.46 1635.90 1645.35 1660.22 1679.99 1699.53 1701.29 1710.50 1714.13 1755.23 1755.63 1771.22 1780.08 1789.29 1809.23 1817.27 1831.64 1838.45 1858.46 1867.23 1874.41 1879.72 1898.41 1904.55 1906.88 1913.32 1921.16 1932.36 1947.88 1984.74 2009.99 2016.24 2045.38 2078.87 2109.96 2118.27 2120.42 2129.23 2146.68 2169.07 2185.40 2203.63 2214.00 2226.36 2241.14 2252.17 2260.41 2269.36 2287.29 2297.38 2311.48 2316.98 2331.97 2337.28 2338.93 2343.22 2344.15 2345.84 2352.63 2358.60 2363.46 2364.56 2369.06 2370.50 2378.93 2397.63 2406.70 2406.74 2431.47 2470.53 2536.04 2560.46 2571.32 2585.81 2598.53 2602.93 2613.97 4585.02 4599.22 4622.20 4630.96 4642.64 4668.13 4681.52 4716.34 4717.61 4720.50 4725.67 4729.85 4730.31 4739.88 4799.62 4820.14 4821.84 4823.08 4827.99 4828.98 4832.43 4836.77 4846.34 4853.71 4858.90 4862.21 4864.76 4873.04 4878.69 4879.61 4887.71 4887.86 4895.35 4898.14 5300.16 5840.06 0.661040 0.693637 0.694581 0.588898 -1544.066292 -1544.033695 -1544.032751 -1544.138435 3.544659D-04 MUNgauss RevisionA2.0 retrievium 12-Feb-2020 DUDE CC(C)OC[C@@H](C[NH+](Cc1ccccc1)Cc2c(nn(c2Oc3ccccc3)C)c4ccccc4)O C36316198 RHF 6-31G(d) (6D,10F) C1 486.275667 |X|Y|Z| 86.762535 96.528177 56.246777 77.808670 27 6 7 8 23 3 1 |36.858105| |12.505760|36.858105| |7.538311|12.542109|36.858105| |7.839644|13.385602|8.085365|73.516695| |6.166946|7.925562|5.233580|24.368081|36.858105| |4.318205|5.201016|4.144502|14.629863|12.518555|36.858105| |4.279593|4.847091|4.001336|13.274395|8.991515|17.558171|0.500000| |3.444970|3.884035|3.182014|9.178524|7.547959|12.477405|0.244180|36.858105| |2.781814|3.129386|2.732792|7.090778|4.986432|7.640020|0.182042|12.747018|53.358707| |2.765626|3.210388|2.865573|7.307462|4.924982|7.483004|0.171495|9.430660|25.666106|0.500000| |2.603516|2.845425|2.548604|6.393957|4.194416|6.199443|0.180482|7.637964|17.165766|0.258316|36.858105| |2.216292|2.427821|2.255615|5.264711|3.271284|4.421167|0.126645|4.973197|10.292652|0.201590|12.634279|36.858105| |2.182969|2.439714|2.331365|5.273671|3.145207|4.172315|0.118225|4.284876|8.115577|0.186505|7.592592|13.691756|36.858105| |1.898979|2.101527|2.045416|4.397288|2.573940|3.214337|0.090705|3.292011|5.810212|0.130301|5.034522|7.918180|13.773871|36.858105| |1.717656|1.866859|1.804859|3.843052|2.272968|2.771921|0.078418|2.930917|5.098545|0.108302|4.445102|6.857376|7.940538|13.735024|36.858105| |1.732913|1.860507|1.768358|3.837344|2.317233|2.838706|0.080684|3.120798|5.517238|0.110838|5.022991|7.915896|6.873130|7.935726|13.759140|36.858105| |1.940976|2.083604|1.943868|4.380359|2.709204|3.437120|0.098272|3.930675|7.383477|0.139925|7.564545|13.718951|7.935944|6.875811|7.941874|13.745788|36.858105| |2.377504|2.616941|2.309147|5.586380|3.843036|4.961841|0.121840|7.600849|17.089601|0.257181|7.618373|6.200331|4.856223|3.860110|3.632466|4.092341|5.358755|36.858105| |2.345948|2.612367|2.298790|5.417188|3.734788|4.422940|0.104172|6.296039|10.253762|0.195969|4.950057|4.335780|3.816920|3.214579|3.015661|3.245226|3.875928|12.810666|36.858105| |2.183535|2.471292|2.231124|5.016507|3.308084|3.783111|0.089645|4.724342|7.509682|0.164950|3.989776|3.785330|3.595934|3.153514|2.926433|3.019374|3.406521|7.222386|13.386465|36.858105| |2.098846|2.354958|2.123552|4.632935|3.032495|3.267172|0.078022|3.940905|5.706536|0.121361|3.207810|3.021966|2.891061|2.600315|2.449431|2.522792|2.789526|5.168020|8.496910|14.658566|53.358707| |2.179896|2.398984|2.115706|4.693483|3.156027|3.322385|0.079411|4.162333|5.679171|0.113741|3.192645|2.895613|2.684575|2.389491|2.277620|2.397854|2.700063|5.252448|8.706473|8.998766|19.342006|53.358707| |2.331464|2.545948|2.209048|5.118996|3.561767|3.896666|0.092639|5.359006|7.317227|0.137040|3.915639|3.398179|3.022450|2.617570|2.498485|2.693080|3.145165|7.464135|13.881205|8.692440|11.776417|19.518514|36.858105| |2.390530|2.532320|2.162135|5.042863|3.558339|3.772801|0.091905|5.215987|6.544798|0.116741|3.727244|3.138906|2.738478|2.374959|2.293892|2.509631|2.954862|6.157444|7.808113|5.428870|7.457347|11.053029|14.245971|73.516695| |2.083647|2.162696|1.879576|4.228631|2.873300|3.027285|0.076697|3.934904|5.181514|0.093485|3.199683|2.797976|2.434492|2.165266|2.143868|2.375479|2.748990|4.853958|5.556570|4.296838|6.036202|8.310458|8.039394|24.396805|36.858105| |2.073937|2.100297|1.816459|4.035266|2.719181|2.772372|0.071535|3.458302|4.375307|0.079396|2.813561|2.451025|2.150549|1.924353|1.907408|2.104525|2.413745|3.780100|4.078384|3.328097|4.695417|6.091005|5.334541|14.447273|13.774399|36.858105| |1.822886|1.830711|1.609326|3.481430|2.283499|2.332486|0.061328|2.810733|3.660493|0.067354|2.442781|2.188149|1.931487|1.759462|1.768818|1.956795|2.204119|3.128030|3.287972|2.800917|3.952353|4.869016|4.020970|9.358753|7.992133|13.776154|36.858105| |1.651160|1.674130|1.492824|3.193843|2.067194|2.149363|0.056719|2.577294|3.489719|0.064793|2.354503|2.167633|1.915058|1.768737|1.803108|2.006149|2.229759|3.055470|3.205025|2.786902|3.926365|4.713146|3.805520|8.172631|6.907390|7.920549|13.726093|36.858105| |1.658730|1.708055|1.529568|3.292798|2.136600|2.265947|0.059290|2.762997|3.866226|0.071913|2.570499|2.398762|2.109301|1.951580|1.999545|2.237078|2.487036|3.550427|3.796911|3.290415|4.621676|5.553960|4.510357|9.207861|7.997177|6.875429|7.958134|13.777303|36.858105| |1.840598|1.920533|1.704134|3.749936|2.480849|2.664249|0.068395|3.373827|4.749389|0.087347|3.019131|2.764452|2.409176|2.188545|2.211252|2.471571|2.807367|4.623287|5.220192|4.271686|5.976807|7.647503|6.698375|13.925245|13.796578|7.897545|6.859437|7.906394|13.714636|36.858105| |2.047300|2.215312|1.961440|4.198876|2.767110|2.788454|0.067965|3.324814|4.381758|0.087648|2.602291|2.380432|2.230276|2.022071|1.944685|2.038531|2.254923|3.808434|5.275365|5.455566|10.731309|17.871886|7.593210|11.380750|5.612123|4.503775|3.697124|3.544711|4.021639|5.136420|36.858105| |2.059500|2.356243|2.193452|4.791378|3.024747|3.521697|0.085351|4.068640|6.807571|0.163462|3.881088|3.984045|4.064608|3.671451|3.319492|3.268560|3.542661|5.791925|7.296858|12.816740|10.654119|7.314973|5.221692|6.862499|3.262078|2.663812|2.323743|2.339060|2.716375|3.319903|3.944994|36.858105| |1.792013|2.014844|1.904229|4.021790|2.484882|2.839582|0.071218|3.213583|5.301051|0.120921|3.291761|3.554185|3.655786|3.543491|3.347985|3.262979|3.355336|4.569666|5.292555|7.635283|8.201933|5.990093|4.184193|5.805506|2.925028|2.417347|2.170426|2.238525|2.624833|3.110679|3.474114|13.706275|36.858105| |1.685668|1.896991|1.830119|3.765239|2.264972|2.579366|0.065914|2.799120|4.567129|0.105354|2.990256|3.350945|3.641938|3.745169|3.509704|3.242198|3.178629|3.674654|3.944133|5.055292|5.817865|4.570107|3.240138|4.734955|2.423598|2.064683|1.882031|1.938368|2.227068|2.555806|2.797793|7.916471|13.756991|36.858105| |1.775300|2.026114|1.985339|4.046029|2.386260|2.736864|0.070065|2.859022|4.641083|0.111060|3.075420|3.472400|4.025075|4.171744|3.659865|3.226175|3.160268|3.483440|3.622361|4.462271|5.110918|4.121252|2.971042|4.417653|2.229364|1.930111|1.751593|1.777323|2.004060|2.290137|2.544743|6.845647|7.931079|13.743546|36.858105| |2.033256|2.373351|2.319650|4.829708|2.849451|3.327680|0.083300|3.407152|5.545059|0.141036|3.534082|3.864418|4.586733|4.382575|3.620384|3.228481|3.311156|3.936436|4.101450|5.049691|5.568197|4.482705|3.278461|4.828421|2.365991|2.047017|1.827787|1.824991|2.042279|2.367739|2.712028|7.905320|6.873073|7.944316|13.754433|36.858105| |2.229236|2.618363|2.477267|5.413394|3.331819|3.955283|0.094932|4.254365|7.049614|0.187408|4.068139|4.189035|4.618110|4.070722|3.444923|3.250216|3.514106|5.110257|5.697910|7.626080|7.547908|5.799901|4.270231|5.983070|2.826258|2.389758|2.088815|2.069127|2.336285|2.788967|3.314712|13.694333|7.939781|6.881743|7.937582|13.745288|36.858105| |3.741260|4.773580|4.191635|12.575693|7.927529|13.591854|0.259105|8.129222|9.830711|0.247997|5.787520|4.627634|4.808003|3.651943|3.009501|2.961112|3.487620|4.788102|4.409784|4.070291|4.662948|4.480421|3.701967|6.004074|2.746342|2.470538|2.112323|1.987637|2.126583|2.495821|2.731946|4.056344|3.191830|2.951175|3.256468|4.187839|4.983064|73.516695| |17.561753|8.749531|5.476342|12.365457|6.605144|4.475630|0.121833|3.712949|3.960951|0.078700|2.696414|2.257497|2.180830|1.889079|1.723530|1.759610|1.988561|2.509578|2.480356|2.267771|2.980866|3.155441|2.507632|4.671170|2.281296|2.298958|2.001713|1.788927|1.783607|1.983387|2.185303|2.097716|1.820640|1.693877|1.763749|2.010834|2.234184|6.553882|0.500000| |17.562523|8.841907|6.851596|12.619558|5.464477|4.177869|0.121937|3.299352|3.699077|0.074746|2.625486|2.241269|2.210354|1.923981|1.739879|1.754223|1.963259|2.302114|2.224320|2.062437|2.670407|2.758673|2.183681|3.982854|1.974461|1.965595|1.743442|1.588287|1.595391|1.759902|1.892686|1.966416|1.724490|1.634209|1.726624|1.968583|2.133341|6.431717|0.300738|0.500000| |17.567741|8.849579|6.880768|10.073444|4.702063|3.506506|0.095795|2.920946|3.300576|0.067303|2.272976|1.973974|1.954858|1.726315|1.571574|1.580731|1.750865|2.121674|2.119858|2.000289|2.651644|2.749765|2.126699|3.872239|1.922829|1.926488|1.710072|1.552349|1.552841|1.708852|1.928178|1.893328|1.664238|1.572512|1.652601|1.875507|2.037814|5.615293|0.302695|0.300778|0.500000| |8.868229|17.510922|8.900134|16.585540|7.468160|4.856927|0.119159|3.849701|4.207222|0.088480|2.725358|2.338678|2.343368|2.030583|1.813050|1.809668|2.021366|2.647050|2.725251|2.607588|3.444154|3.523287|2.702354|4.752434|2.261300|2.191782|1.897184|1.728952|1.765515|1.995180|2.414047|2.453423|2.084090|1.945112|2.064373|2.420580|2.706737|8.097575|0.212330|0.173573|0.211908|0.500000| |6.853709|8.851588|17.564327|12.934838|4.765402|4.012862|0.113349|3.058952|3.633130|0.077319|2.566333|2.281857|2.367975|2.080237|1.832471|1.791266|1.965448|2.237293|2.182053|2.102616|2.697601|2.685390|2.078919|3.633950|1.793762|1.737064|1.549387|1.442337|1.476416|1.636210|1.822066|2.084403|1.825920|1.767971|1.923047|2.232016|2.352945|7.162721|0.139911|0.204109|0.169550|0.173856|0.500000| |5.493602|8.840060|17.570259|13.033935|5.012761|4.188383|0.109263|3.221579|3.850453|0.084434|2.605416|2.338378|2.462828|2.164205|1.888115|1.829536|1.999994|2.386042|2.396007|2.369206|3.055867|2.991270|2.272650|3.878506|1.887086|1.800768|1.594162|1.489585|1.539630|1.723622|2.021424|2.367556|2.043274|1.976167|2.173394|2.576922|2.732300|8.110923|0.122832|0.140298|0.140743|0.214541|0.300657|0.500000| |6.860043|8.848063|17.572759|10.231458|4.238727|3.409545|0.091513|2.752663|3.255504|0.069191|2.235430|2.002162|2.061482|1.836444|1.638937|1.608063|1.753053|2.072027|2.084650|2.037941|2.679800|2.679238|2.031326|3.552981|1.756513|1.711726|1.527352|1.416534|1.443705|1.596310|1.855170|1.998482|1.755229|1.690671|1.822070|2.098595|2.226696|6.082683|0.140358|0.168932|0.205329|0.212398|0.300805|0.301074|0.500000| |6.612612|6.896357|4.573059|16.416638|17.531366|8.848201|0.217077|6.804169|6.121901|0.117248|3.939783|3.051096|2.857025|2.368737|2.135495|2.211154|2.593380|3.617298|3.476594|3.013135|3.820401|4.090097|3.434423|6.409523|2.954788|2.878042|2.409131|2.144355|2.179758|2.508233|2.688641|2.711927|2.273989|2.068504|2.146323|2.500552|2.892992|10.147499|0.226117|0.163502|0.137233|0.178950|0.118965|0.116239|0.107773|0.500000| |5.423585|7.172879|4.898587|16.552112|17.503910|8.850243|0.174803|6.968791|6.484855|0.133833|3.798520|3.055436|2.957828|2.459137|2.183513|2.219690|2.567423|3.883213|4.029925|3.641707|4.651428|4.868538|3.945466|6.871038|3.043350|2.851296|2.365750|2.136237|2.217971|2.603112|3.140778|3.250152|2.627654|2.363102|2.473010|2.968164|3.554050|12.608555|0.162220|0.127272|0.123058|0.226726|0.117828|0.135733|0.114586|0.299850|0.500000| |3.370870|3.587839|2.926495|8.143523|6.483430|8.747570|0.217360|17.612727|12.351779|0.182479|7.157418|4.614887|3.820779|3.013596|2.767805|3.024884|3.847522|6.739655|5.422451|4.028909|4.748254|5.203387|4.996955|9.574280|4.193939|3.805151|3.068134|2.760618|2.904670|3.508048|3.157375|3.452708|2.847654|2.497506|2.513467|2.896944|3.491075|10.313045|0.103792|0.090880|0.079510|0.097672|0.079185|0.080281|0.071398|0.188729|0.160832|0.500000| |3.380338|3.859077|3.132189|8.654368|7.203021|8.869126|0.174132|17.676867|12.497245|0.221149|5.619061|4.153333|3.710769|2.971019|2.674769|2.822610|3.437084|7.397142|7.563694|5.550430|6.452318|7.055523|6.831041|11.372566|4.431930|3.801409|3.001878|2.727041|2.940427|3.682222|4.010440|4.427945|3.400680|2.886449|2.905530|3.467139|4.492555|12.411029|0.102104|0.087188|0.080985|0.111602|0.081412|0.088863|0.076368|0.178527|0.219658|0.301176|0.500000| |2.886607|3.166854|2.840289|7.361099|4.698839|7.348530|0.246185|7.406674|12.403386|0.219241|17.676340|8.923370|7.001018|4.702247|4.006522|4.282982|5.805554|5.600552|4.132040|3.477959|3.923770|3.906208|3.421527|5.880771|2.844466|2.571439|2.243631|2.139028|2.291736|2.647890|2.394507|3.428911|2.918217|2.712951|2.860873|3.332543|3.739783|11.809299|0.082104|0.082277|0.068963|0.082065|0.080802|0.080142|0.068117|0.121261|0.112311|0.191699|0.147155|0.500000| |2.506571|2.658325|2.357710|5.827803|3.865688|5.295324|0.157100|6.853356|12.402181|0.181980|17.622250|8.832134|5.595679|4.183529|3.972650|4.747404|7.231454|7.176577|4.669965|3.653891|4.120158|4.237082|3.890933|6.929091|3.437265|3.057734|2.662247|2.555526|2.768272|3.226775|2.574944|3.424384|2.981989|2.688623|2.698309|3.008649|3.440269|8.198236|0.073316|0.070397|0.061042|0.070916|0.065998|0.065901|0.058146|0.105982|0.097472|0.210286|0.144610|0.302042|0.500000| |2.400536|2.746026|2.647062|6.064214|3.543462|4.815322|0.135435|4.592399|8.273048|0.206717|7.037440|8.884797|17.690820|8.934392|5.648183|4.950171|5.638844|4.590115|3.770168|3.609093|3.975356|3.673781|3.008594|4.829380|2.373307|2.109881|1.880045|1.843319|2.013472|2.307691|2.247461|4.095526|3.549198|3.543436|4.076116|4.969409|4.989980|10.752844|0.065828|0.067498|0.059301|0.072718|0.074799|0.078765|0.064064|0.086859|0.091777|0.109533|0.109913|0.203830|0.141357|0.500000| |1.846887|2.057568|2.039698|4.258678|2.439965|2.977011|0.083573|2.957471|4.990981|0.114177|4.105433|5.639424|8.934360|17.733174|8.908137|5.645431|4.954710|3.313739|2.887234|2.915542|3.331212|3.032985|2.391595|3.851140|1.975745|1.768680|1.622307|1.628388|1.786816|1.991829|1.907953|3.459255|3.378217|3.724006|4.367320|4.547071|3.958246|6.150976|0.050539|0.051985|0.046924|0.055226|0.057725|0.060522|0.051006|0.061959|0.065108|0.074783|0.075379|0.111037|0.096287|0.215917|0.500000| |1.575865|1.705774|1.664176|3.459650|2.025749|2.410490|0.068016|2.522048|4.231032|0.089979|3.554069|4.944834|5.649300|8.914043|17.729565|8.921900|5.648576|3.064609|2.641047|2.613566|3.041556|2.821774|2.235400|3.661439|1.947040|1.745402|1.635320|1.676692|1.853390|2.022455|1.796266|2.975599|3.092462|3.340826|3.473092|3.308759|3.067766|4.645341|0.043793|0.044339|0.040364|0.046132|0.046948|0.048380|0.042303|0.053072|0.054387|0.066539|0.064962|0.091122|0.090448|0.124263|0.214861|0.500000| |1.597207|1.697427|1.614296|3.452827|2.082486|2.490042|0.070701|2.744615|4.669608|0.092594|4.095503|5.639345|4.953184|5.643670|8.913192|17.731081|8.924112|3.583120|2.927357|2.733416|3.179054|3.049759|2.496468|4.188574|2.282008|2.037091|1.924545|1.997498|2.226499|2.411647|1.932879|2.910541|2.974824|2.955684|2.874262|2.813764|2.831057|4.546723|0.045185|0.044897|0.040729|0.046010|0.045385|0.046167|0.041103|0.055820|0.055697|0.075199|0.070003|0.098803|0.112924|0.107496|0.124099|0.214909|0.500000| |1.915308|2.025889|1.868660|4.226458|2.651148|3.304195|0.094671|3.901308|7.029258|0.125859|6.992371|8.893963|5.638114|4.952106|5.651244|8.930805|17.699049|5.427524|3.874706|3.289440|3.733539|3.713391|3.235684|5.566672|2.978564|2.623688|2.410011|2.447543|2.728709|3.058659|2.293583|3.268562|3.098310|2.869233|2.790543|2.909378|3.150403|5.717109|0.055111|0.053759|0.048036|0.054744|0.052368|0.052877|0.047058|0.071976|0.069834|0.110959|0.095119|0.148221|0.220632|0.123858|0.107531|0.124293|0.215885|0.500000| |2.146480|2.358666|2.132598|4.977319|3.278727|4.178952|0.106728|5.617132|12.465749|0.224025|7.315216|7.330275|5.591745|4.537449|4.382074|5.066061|6.709627|17.667596|8.955483|6.648107|6.423526|6.134515|5.735586|8.494592|4.110747|3.274696|2.826335|2.847184|3.349911|4.198151|3.383259|6.132480|5.158450|4.169405|3.872569|4.230717|5.280842|7.563141|0.062116|0.058288|0.053673|0.065816|0.057892|0.061587|0.053392|0.085483|0.091167|0.141562|0.148271|0.146447|0.185853|0.137149|0.104814|0.100459|0.120487|0.180834|0.500000| |2.336629|2.504208|2.190584|5.281214|3.653808|4.553985|0.116251|6.995181|12.405742|0.181675|7.034805|5.494090|4.172229|3.410508|3.323170|3.875974|5.138948|17.619088|8.957800|5.497903|6.000688|6.560173|7.059781|12.247754|5.685533|4.401093|3.595816|3.479462|4.025046|5.288229|3.677103|4.436913|3.746240|3.100836|2.928191|3.220011|3.964785|7.310700|0.069492|0.063139|0.057968|0.070027|0.059272|0.061878|0.054976|0.099785|0.100938|0.202789|0.184203|0.146286|0.219504|0.108384|0.081540|0.078821|0.097280|0.158216|0.301247|0.500000| |2.279392|2.280443|1.941521|4.350912|2.968332|2.939155|0.075631|3.625517|4.369920|0.079315|2.801386|2.395148|2.115569|1.878553|1.841247|2.013978|2.316894|3.598981|3.853524|3.160218|4.447497|5.708571|4.961351|13.384999|8.952270|17.737191|8.865904|5.624884|4.955050|5.642643|4.250545|2.552331|2.284309|1.970109|1.869425|2.006289|2.341896|4.557263|0.071350|0.059546|0.058711|0.066386|0.051364|0.052999|0.050885|0.089276|0.086723|0.112600|0.111545|0.072497|0.084226|0.058360|0.048176|0.046747|0.053762|0.069348|0.085460|0.114654|0.500000| |1.783709|1.767605|1.555344|3.325035|2.160059|2.173612|0.057676|2.557854|3.288708|0.060898|2.228823|1.998472|1.777725|1.625265|1.631821|1.795254|2.008951|2.721788|2.823668|2.447762|3.449090|4.152420|3.361714|7.575232|5.674874|8.953095|17.728331|8.904914|5.654065|4.945820|3.192484|2.071424|1.939750|1.705819|1.602142|1.672700|1.891813|3.486813|0.054588|0.047464|0.046761|0.050777|0.041672|0.042528|0.041236|0.063950|0.061818|0.077888|0.075144|0.057716|0.067397|0.048280|0.041840|0.042096|0.049154|0.060785|0.068796|0.085811|0.214078|0.500000| |1.522646|1.535994|1.380632|2.910702|1.859038|1.925745|0.051267|2.262218|3.075375|0.057625|2.112875|1.971134|1.755318|1.638511|1.680617|1.864555|2.044031|2.638271|2.731848|2.431592|3.419057|3.983592|3.142680|6.490649|4.971338|5.639767|8.900877|17.736545|8.919854|5.632660|3.021862|2.091115|2.028245|1.782231|1.637737|1.669108|1.866237|3.185598|0.045622|0.040854|0.039984|0.043920|0.037178|0.038221|0.036550|0.053563|0.053088|0.067063|0.065772|0.053762|0.063525|0.046874|0.042086|0.043761|0.052044|0.062196|0.069504|0.082236|0.123729|0.214464|0.500000| |1.533091|1.583202|1.433281|3.046839|1.950764|2.080382|0.054753|2.495220|3.565735|0.067214|2.409120|2.307178|2.044434|1.921614|1.993241|2.230597|2.432077|3.258050|3.446594|3.095592|4.326627|4.962959|3.896911|7.435481|5.679519|4.954021|5.652385|8.923336|17.726861|8.942707|3.582208|2.630016|2.615387|2.236497|1.990052|1.994989|2.250368|3.523911|0.045414|0.041131|0.040000|0.045320|0.038548|0.040221|0.037640|0.054844|0.056049|0.071963|0.072969|0.059653|0.071505|0.053822|0.048965|0.051772|0.062465|0.073886|0.088397|0.100148|0.107573|0.124181|0.214875|0.500000| |1.811934|1.916670|1.715351|3.769408|2.478965|2.713292|0.069238|3.442250|5.075336|0.094734|3.181123|2.985865|2.610369|2.383100|2.415055|2.697324|3.045795|5.211664|6.133509|5.118451|7.026952|8.579750|7.362498|12.538341|8.888506|5.623429|4.946497|5.634404|8.896386|17.737083|5.290725|3.902168|3.709630|2.954409|2.583354|2.643427|3.144238|4.628836|0.053696|0.048199|0.046667|0.055275|0.045756|0.048631|0.044474|0.068309|0.072420|0.096354|0.104339|0.076318|0.092542|0.068907|0.060034|0.061223|0.072840|0.091049|0.135995|0.157436|0.124122|0.107429|0.124012|0.215715|0.500000| |1.840275|1.972405|1.768779|3.729101|2.417948|2.464976|0.061197|2.914872|3.948442|0.078771|2.411835|2.250425|2.105624|1.938177|1.890884|1.990421|2.175502|3.483332|4.615596|4.821026|9.039656|12.404364|6.187523|9.686819|5.403721|4.357218|3.777274|3.799590|4.438382|5.483453|17.614975|3.653712|3.390268|2.741578|2.444389|2.536650|3.024378|4.312378|0.054320|0.047708|0.048369|0.059017|0.046030|0.050561|0.046658|0.065667|0.074550|0.078009|0.094196|0.061343|0.066843|0.058237|0.050793|0.048877|0.053015|0.061804|0.088727|0.094776|0.109490|0.089802|0.090509|0.112217|0.159197|0.500000| |2.147706|2.288876|1.996587|4.306690|2.873476|2.831605|0.069236|3.387738|4.294966|0.084175|2.572717|2.307675|2.141153|1.928543|1.856369|1.958753|2.184970|3.653671|4.804520|4.565722|7.921887|12.504600|7.129102|12.829146|6.372312|5.406584|4.239061|3.847114|4.161390|5.245003|17.654417|3.406174|2.993227|2.472682|2.291023|2.459646|2.970965|4.788546|0.064602|0.054871|0.056207|0.069502|0.051461|0.056470|0.052608|0.079261|0.090730|0.091650|0.114010|0.066301|0.071748|0.060058|0.050427|0.047550|0.051693|0.062359|0.088489|0.101429|0.146202|0.101820|0.089846|0.099368|0.138288|0.299680|0.500000| |2.051245|2.243289|2.002905|4.192240|2.717710|2.690780|0.065357|3.094695|4.052980|0.083063|2.422727|2.234874|2.136474|1.947854|1.856597|1.917213|2.098381|3.380002|4.555671|5.046056|10.119125|12.596730|5.835460|8.766175|4.296858|3.657502|3.094555|2.967272|3.284581|3.985783|17.662108|3.856294|3.394896|2.782275|2.561461|2.742365|3.323885|4.778847|0.060276|0.052332|0.054095|0.068755|0.051247|0.057770|0.052938|0.072418|0.086918|0.080326|0.103296|0.062835|0.065671|0.060492|0.051647|0.047895|0.050355|0.058556|0.084683|0.088838|0.099079|0.076524|0.072206|0.083429|0.114967|0.299725|0.299616|0.500000| |1.690816|1.875148|1.762220|3.706252|2.303482|2.593883|0.065545|2.981087|4.821032|0.105193|3.032927|3.234135|3.209468|3.130581|3.071635|3.086893|3.167425|4.343634|5.132682|7.073253|8.382978|6.262257|4.278874|5.957915|3.094410|2.528076|2.293674|2.410582|2.886634|3.414527|3.687808|8.918759|17.727367|8.916031|5.643176|4.952892|5.647932|5.016276|0.048049|0.045175|0.043800|0.053995|0.046963|0.052001|0.045439|0.059512|0.067695|0.075177|0.088184|0.074310|0.078581|0.085282|0.082084|0.079698|0.080290|0.083540|0.135404|0.102740|0.065269|0.056489|0.060651|0.081202|0.116493|0.103705|0.086938|0.098180|0.500000| |1.539654|1.713631|1.660633|3.365463|2.011912|2.262816|0.058585|2.445759|3.924347|0.088090|2.641346|2.973872|3.193971|3.387672|3.304037|3.058074|2.916653|3.172062|3.358491|4.117458|4.981995|4.048411|2.859786|4.277136|2.241243|1.928054|1.783777|1.856524|2.131477|2.397624|2.554586|5.639570|8.930944|17.725049|8.912703|5.648513|4.957166|4.512524|0.042992|0.041596|0.040123|0.048705|0.044741|0.049503|0.042926|0.051628|0.058018|0.061779|0.069710|0.066898|0.067215|0.085111|0.094222|0.090234|0.079492|0.073948|0.099845|0.076707|0.050867|0.045065|0.047856|0.060298|0.076711|0.070908|0.063019|0.070469|0.215359|0.500000| |1.665929|1.891085|1.880019|3.739680|2.168012|2.458335|0.063970|2.517422|4.007967|0.094128|2.747077|3.127603|3.681862|3.997233|3.534532|3.033753|2.891111|2.958575|3.017064|3.564774|4.232872|3.523414|2.545562|3.879031|1.983830|1.742988|1.597628|1.622800|1.812850|2.038134|2.232657|4.938278|5.643792|8.912666|17.723507|8.914089|5.645107|5.158534|0.045704|0.045260|0.043310|0.053204|0.050928|0.057174|0.048185|0.054483|0.061868|0.062334|0.070328|0.072174|0.067557|0.103539|0.121838|0.096471|0.075930|0.070902|0.090751|0.070879|0.047030|0.040888|0.041877|0.050243|0.063098|0.059988|0.056444|0.062641|0.124130|0.214889|0.500000| |2.102386|2.483614|2.482922|5.055730|2.892507|3.356556|0.084934|3.269549|5.156316|0.131029|3.387943|3.673631|4.527932|4.333009|3.465103|3.032148|3.099201|3.479401|3.533229|4.112781|4.711312|3.943033|2.906966|4.400903|2.161462|1.902470|1.703520|1.688272|1.863399|2.136999|2.442189|5.633082|4.952316|5.646919|8.912236|17.718497|8.921247|7.755209|0.056992|0.056805|0.053885|0.069720|0.066670|0.077852|0.062053|0.069795|0.082760|0.077292|0.090915|0.091970|0.079671|0.144109|0.130945|0.088612|0.073304|0.075443|0.101677|0.080903|0.052320|0.043678|0.043095|0.050415|0.065125|0.063220|0.062548|0.069039|0.107529|0.124136|0.214774|0.500000| |2.545839|3.071563|2.868400|6.500432|4.045837|4.861350|0.111496|5.052487|7.938362|0.223413|4.346344|4.185650|4.555559|3.820072|3.192122|3.052229|3.394510|5.231726|5.813330|7.040068|7.259054|5.889780|4.434603|6.296721|2.889891|2.468230|2.127801|2.070316|2.304225|2.761310|3.372228|8.889054|5.641089|4.955418|5.649198|8.928715|17.691024|11.703319|0.070675|0.067087|0.063948|0.088709|0.074779|0.088890|0.070506|0.094177|0.121970|0.109890|0.150675|0.114382|0.100592|0.144400|0.102881|0.078425|0.073761|0.085460|0.139484|0.113160|0.068349|0.053773|0.051682|0.060783|0.084534|0.083250|0.085703|0.094492|0.124066|0.107579|0.124232|0.215806|0.500000| 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