Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1c(c(n(n1)c2ccc(cc2)OC)Oc3ccccc3)C[NH+](C[C@@H](COCC#C)O)C(C)C C36346475 RHF 6-31G(d) (6D,7F) CC(C)c1c(c(n(n1)c2ccc(cc2)OC)Oc3ccccc3)C[NH+](C[C@@H](COCC#C)O)C(C)C C01[X(C29H38N3O4)] 216 C1 616 C#CCOC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccccc1)c1ccc(cc1)OC)C(C)C)O C#CCOC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccccc1)c1ccc(cc1)OC)C(C)C)O COc1ccc(cc1)n2nc(C(C)C)c(C[NH+](C[C@H](O)COCC#C)C(C)C)c2Oc3ccccc3 InChIKey=SDCWJWQGJYOTDK-DEOSSOPVSA-O InChI=1S/C29H37N3O4/c1-7-17-35-20-24(33)18-31(22(4)5)19-27-28(21(2)3)30-32(23-13-15-25(34-6)16-14-23)29(27)36-26-11-9-8-10-12-26/h1,8-16,21-22,24,33H,17-20H2,2-6H3/p+1/t24-/m0/s1 InChI=1/C29H37N3O4/c1-7-17-35-20-24(33)18-31(22(4)5)19-27-28(21(2)3)30-32(23-13-15-25(34-6)16-14-23)29(27)36-26-11-9-8-10-12-26/h1,8-16,21-22,24,33H,17-20H2,2-6H3/p+1/t24-/m0/s1/fC29H38N3O4/h31H/q+1 CC(C)c1c(c(n(n1)c2ccc(cc2)OC)Oc3ccccc3)C[NH+](C[C@@H](COCC#C)O)C(C)C C01[X(C29H38N3O4)] 216 C01 616 C#CCOC[C@H](C[NH+](C(C)C)Cc1c(nn(c1Oc1ccccc1)c1ccc(cc1)OC)C(C)C)O C#CCOC[C@H](C[NH](C(C)C)Cc1c(nn(c1Oc1ccccc1)c1ccc(cc1)OC)C(C)C)O COc1ccc(cc1)n2nc(C(C)C)c(C[NH](C[C@H](O)COCC#C)C(C)C)c2Oc3ccccc3 InChIKey=OKHYPEWPRSKCNF-DEOSSOPVSA-N InChI=1S/C29H38N3O4/c1-7-17-35-20-24(33)18-31(22(4)5)19-27-28(21(2)3)30-32(23-13-15-25(34-6)16-14-23)29(27)36-26-11-9-8-10-12-26/h1,8-16,21-22,24,31,33H,17-20H2,2-6H3/t24-/m0/s1 InChI=1/C29H38N3O4/c1-7-17-35-20-24(33)18-31(22(4)5)19-27-28(21(2)3)30-32(23-13-15-25(34-6)16-14-23)29(27)36-26-11-9-8-10-12-26/h1,8-16,21-22,24,31,33H,17-20H2,2-6H3/t24-/m0/s1 4011.5953643875 -1582.7736944 1-A 21425.9638 132 484 616 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 11.1876 13.1556 19.7831 21.4790 26.3640 36.1061 39.3753 44.5399 54.2404 60.8425 62.1999 62.9157 83.5563 90.0266 93.9889 105.7706 115.4642 124.9942 138.8522 163.2014 176.4311 179.9550 195.2414 202.4758 214.0374 223.9684 245.8602 250.2422 258.4354 264.1970 273.7894 286.5655 288.8081 293.8325 308.2580 324.1386 338.2910 349.7345 362.5879 385.6585 388.4337 406.1335 419.9964 433.1988 445.1718 462.8540 467.6981 493.7174 506.6436 511.0298 518.9110 538.6164 545.3371 561.1771 567.3580 586.1950 619.1350 623.3264 640.2224 651.8230 668.0503 682.9918 698.2164 721.9233 768.8338 780.9017 791.2596 799.5191 812.7814 823.3641 852.4877 858.6791 858.8926 878.8986 901.2089 923.1008 933.1564 941.1375 952.7268 962.1885 970.3498 976.7387 1008.5613 1015.3057 1018.7006 1022.2824 1030.8757 1041.7525 1046.9732 1048.4211 1056.3705 1069.8696 1087.5907 1096.0561 1098.1421 1106.8392 1110.1547 1124.9108 1131.7253 1134.1495 1137.5419 1165.8603 1167.0148 1177.4066 1181.5670 1207.6846 1210.3597 1215.3593 1222.4554 1227.0291 1243.9885 1248.0581 1258.7102 1281.6729 1287.2092 1289.9518 1293.2624 1296.9182 1297.6220 1299.9951 1312.8812 1322.6610 1333.2511 1338.5520 1357.3005 1361.6118 1392.4395 1402.2663 1407.0730 1433.5810 1435.7057 1443.9182 1455.3812 1460.3231 1469.0364 1473.2141 1488.5513 1492.3661 1509.6427 1539.1439 1547.4111 1554.4919 1555.8171 1567.3024 1573.6417 1575.7121 1585.5028 1586.2039 1594.1132 1598.0205 1608.3212 1622.4330 1623.1528 1625.1806 1629.9990 1631.1070 1634.5314 1636.3039 1638.8670 1642.7523 1646.6788 1651.2800 1653.2954 1654.4860 1656.3972 1657.1224 1660.4108 1664.0049 1667.5050 1673.7593 1686.9222 1711.3217 1759.7607 1784.6866 1791.8677 1803.4186 1820.0190 2430.8358 3184.9636 3192.2257 3196.4053 3206.9354 3208.3126 3215.7471 3216.2420 3227.3034 3236.0345 3237.6313 3245.2783 3268.1076 3275.2929 3282.4101 3283.1621 3290.9771 3292.6725 3297.2476 3299.2857 3304.2075 3317.2257 3328.2735 3344.9722 3352.8119 3356.0538 3374.8505 3380.9828 3382.8208 3390.5895 3390.9170 3394.8843 3396.0886 3405.6163 3410.4733 3416.6222 3659.2449 3704.1292 4055.2334 3.7945 5.3832 4.3400 4.3804 4.0618 3.6197 5.0028 4.3159 3.2306 3.8327 4.4775 4.0487 3.7573 3.6755 2.4945 4.2171 3.4371 4.5397 4.2157 3.6497 4.4069 4.2122 2.8670 3.9104 3.9401 1.3796 2.3343 1.0759 1.1082 1.5809 1.4513 1.7090 3.6869 3.4406 3.9643 2.8584 3.2214 3.5228 3.4835 3.0467 3.6797 5.0155 4.5408 2.5752 2.7692 3.0190 3.0953 4.1577 2.9669 1.4839 2.2953 3.3001 3.3908 3.1141 2.8191 2.9314 4.4555 4.1539 4.0707 4.1612 5.8002 4.7498 6.1626 3.7601 2.5548 4.1573 3.6951 4.3270 1.2802 6.5511 1.6761 1.3316 3.2836 6.3023 5.3049 1.2794 4.5314 1.2746 1.7155 2.7687 3.4798 2.4129 2.4314 1.2892 1.8666 1.4159 1.2968 1.5212 3.1059 1.6108 2.0755 1.3783 5.6768 2.4501 1.6581 1.3586 2.6938 2.1421 2.4331 1.3533 1.7752 3.1231 3.5230 3.6848 1.6993 1.7719 1.7236 2.0490 2.2443 2.1284 2.3664 2.1052 2.7016 3.0918 2.8995 1.3363 1.2667 1.2256 2.0542 3.8404 1.9394 2.3336 1.6168 1.8617 2.2566 1.4736 1.0722 1.7510 1.1322 1.6540 1.1784 3.5410 1.1977 1.3727 1.3604 1.3597 2.2291 1.2786 1.3521 1.2619 1.3710 1.2625 1.2874 2.3676 1.2671 1.3009 1.5101 1.5656 1.7754 1.3227 1.2261 1.1379 1.8354 1.6133 1.0421 1.2259 1.2613 1.0586 1.4545 1.2262 1.0568 1.0475 1.1176 1.0820 1.0873 1.0575 1.2088 2.1098 1.3978 1.0942 3.9008 4.1135 8.7154 6.7305 5.6777 5.5850 5.5783 5.6280 1.0615 1.0808 1.0829 1.0379 1.0567 1.0345 1.0396 1.0403 1.0400 1.1053 1.1081 1.1023 1.1029 1.1080 1.0645 1.1040 1.0987 1.0821 1.0901 1.1024 1.1017 1.1026 1.1023 1.1056 1.0910 1.0879 1.0907 1.0978 1.0915 1.0931 1.0905 1.0962 1.0991 1.0970 1.0941 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68 69 70 71 72 73 74 6 6 6 6 6 6 7 7 6 6 6 6 6 6 8 6 8 6 6 6 6 6 6 6 7 1 6 6 1 6 8 6 6 6 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 13574.7545 26349.3918 36531.0287 0.99999 0.00435 0.00017 -0.00435 0.99996 0.00764 -0.00014 -0.00764 0.99997 1 0.00638 0.00329 0.00237 0.13295 0.06849 0.04940 16.10 18.93 28.46 30.90 37.93 51.95 56.65 64.08 78.04 87.54 89.49 90.52 120.22 129.53 135.23 152.18 166.13 179.84 199.78 234.81 253.84 258.92 280.91 291.32 307.95 322.24 353.74 360.04 371.83 380.12 393.92 412.30 415.53 422.76 443.51 466.36 486.73 503.19 521.68 554.88 558.87 584.34 604.28 623.28 640.50 665.94 672.91 710.35 728.95 735.26 746.60 774.95 784.62 807.41 816.30 843.40 890.80 896.83 921.14 937.83 961.18 982.67 1004.58 1038.69 1106.18 1123.54 1138.45 1150.33 1169.41 1184.64 1226.54 1235.45 1235.75 1264.54 1296.64 1328.14 1342.60 1354.09 1370.76 1384.37 1396.12 1405.31 1451.09 1460.80 1465.68 1470.84 1483.20 1498.85 1506.36 1508.44 1519.88 1539.30 1564.80 1576.98 1579.98 1592.49 1597.26 1618.50 1628.30 1631.79 1636.67 1677.41 1679.07 1694.03 1700.01 1737.59 1741.44 1748.63 1758.84 1765.42 1789.82 1795.68 1811.00 1844.04 1852.01 1855.95 1860.72 1865.98 1866.99 1870.40 1888.94 1903.01 1918.25 1925.88 1952.85 1959.06 2003.41 2017.55 2024.46 2062.60 2065.66 2077.48 2093.97 2101.08 2113.62 2119.63 2141.69 2147.18 2172.04 2214.48 2226.38 2236.57 2238.47 2255.00 2264.12 2267.10 2281.18 2282.19 2293.57 2299.20 2314.02 2334.32 2335.35 2338.27 2345.20 2346.80 2351.73 2354.28 2357.96 2363.55 2369.20 2375.82 2378.72 2380.44 2383.19 2384.23 2388.96 2394.13 2399.17 2408.17 2427.10 2462.21 2531.90 2567.77 2578.10 2594.72 2618.60 3497.43 4582.45 4592.90 4598.91 4614.06 4616.05 4626.74 4627.45 4643.37 4655.93 4658.23 4669.23 4702.08 4712.42 4722.66 4723.74 4734.98 4737.42 4744.00 4746.94 4754.02 4772.75 4788.64 4812.67 4823.95 4828.61 4855.66 4864.48 4867.12 4878.30 4878.77 4884.48 4886.21 4899.92 4906.91 4915.76 5264.84 5329.42 5834.58 0.680145 0.715179 0.716123 0.607465 -1582.093550 -1582.058515 -1582.057571 -1582.166229 3.644407D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE CC(C)c1c(c(n(n1)c2ccc(cc2)OC)Oc3ccccc3)C[NH+](C[C@@H](COCC#C)O)C(C)C C36346475 RHF 6-31G(d) (6D,10F) C1 492.286232 |X|Y|Z| 82.650638 115.873838 34.176882 68.916204 18 6 7 8 15 2 1 |36.858105| |12.398902|36.858105| |7.521387|12.432442|36.858105| |7.614846|12.597904|7.560126|36.858105| |5.447724|7.188743|4.995681|13.373578|36.858105| |4.301915|5.177685|4.123332|8.684192|13.892509|36.858105| |4.467311|5.334949|4.547747|8.957698|8.686013|14.315982|53.358707| |5.986277|7.795584|6.543905|14.662083|8.512148|8.668046|19.301039|53.358707| |3.519577|3.944137|3.656183|5.473682|5.302822|7.650633|18.165651|10.780905|36.858105| |3.152436|3.580226|3.592464|4.588101|4.209187|5.319948|10.667594|8.770657|13.694051|36.858105| |2.620271|2.867054|2.906470|3.463692|3.265096|3.983046|7.027278|6.067189|7.963662|13.873291|36.858105| |2.411938|2.560011|2.519257|3.072756|3.000077|3.698433|6.173236|5.178337|6.869856|7.923884|13.636866|36.858105| |2.565574|2.684453|2.542060|3.301613|3.329275|4.268676|6.987327|5.515443|7.938751|6.862459|7.921358|13.739881|36.858105| |3.070825|3.255329|2.974191|4.251960|4.369056|6.101530|10.635458|7.363580|13.831656|7.942305|6.889683|7.934151|13.713424|36.858105| |2.082049|2.184919|2.177470|2.535197|2.478772|2.941683|4.684490|4.116284|4.636640|5.312896|8.224777|14.230973|7.888865|5.208201|73.516695| |1.903146|1.962945|1.929854|2.252303|2.237868|2.628301|4.034792|3.558641|3.794452|3.986053|5.255876|8.009813|6.712701|4.508756|24.123250|36.858105| |3.369004|3.833336|3.204930|5.420312|7.815339|14.190500|11.005446|7.447171|6.407666|4.620171|3.735191|3.662614|4.380376|6.073320|5.249492|2.702018|73.516695| |2.817228|3.249088|2.867717|4.310427|5.624993|8.041936|8.225611|6.017520|5.510836|4.442438|3.722179|3.619156|4.128609|5.191304|5.290230|2.707386|24.513987|36.858105| |2.391162|2.659444|2.378571|3.330676|4.141467|5.310801|5.933997|4.630782|4.282194|3.601519|3.239764|3.311368|3.813940|4.442896|5.026201|2.666619|14.484970|13.745682|36.858105| |2.084930|2.321944|2.135422|2.806379|3.336531|4.009718|4.764650|3.904100|3.530195|3.181515|2.963279|3.006925|3.294008|3.596900|4.730641|2.519621|9.374154|7.979972|13.782883|36.858105| |2.055037|2.334888|2.196243|2.795862|3.244184|3.799492|4.647968|3.897874|3.435519|3.252381|3.017059|2.942151|3.074596|3.321075|4.659861|2.421833|8.174015|6.890165|7.913112|13.708749|36.858105| |2.308587|2.704898|2.563589|3.306183|3.828922|4.512409|5.542339|4.627363|3.989141|3.837471|3.400238|3.158124|3.240622|3.610923|4.876346|2.456702|9.203056|7.979201|6.874346|7.962223|13.791637|36.858105| |2.754618|3.298358|3.031648|4.297451|5.246322|6.724000|7.733244|6.034823|5.209677|4.671044|3.847377|3.520835|3.734485|4.476319|5.205487|2.592578|13.914488|13.777535|7.896130|6.859635|7.899467|13.687243|36.858105| |4.721042|5.730007|4.111107|7.217543|12.753911|7.430177|7.119027|7.029488|3.813423|3.190808|2.624305|2.471423|2.728989|3.394742|3.747593|1.945644|10.938403|4.853845|3.876213|3.190365|3.069475|3.492677|4.473092|36.858105| |3.504788|4.247255|3.426603|5.087373|7.530731|5.952006|5.905074|5.568224|3.397605|2.947231|2.473503|2.329917|2.534061|3.057281|3.579883|1.862193|10.248075|5.286293|4.288550|3.640050|3.574222|4.089745|5.098919|12.437868|53.358707| |3.352881|4.151507|3.465278|5.252560|7.818373|6.901245|6.664264|6.009185|3.822885|3.316990|2.745460|2.558367|2.769998|3.366871|3.892749|2.003391|12.171727|6.778045|5.066552|4.260818|4.290073|5.180402|6.912832|9.297138|25.739828|0.500000| |2.925170|3.301045|2.736806|3.855340|5.324538|4.839136|4.937813|4.505220|3.013039|2.601283|2.253450|2.185418|2.412536|2.858963|3.400329|1.803573|9.538556|5.057607|4.595847|3.885321|3.602001|3.810542|4.475909|7.649874|17.228108|0.261702|36.858105| |2.408571|2.711721|2.360630|3.099061|3.964950|3.840013|4.159375|3.781760|2.665179|2.373351|2.101955|2.044443|2.221803|2.551767|3.230947|1.721065|7.780879|4.666704|4.599164|4.254680|4.016008|4.054940|4.347798|4.910120|10.156467|0.196900|12.502991|36.858105| |2.373955|2.721800|2.412331|3.167368|4.026621|4.047136|4.405506|3.940194|2.850908|2.563416|2.264179|2.184653|2.354129|2.697482|3.441499|1.817651|8.335890|5.463467|5.326574|5.134291|5.058774|5.160254|5.353050|4.649404|9.606683|0.218283|8.843412|17.497369|0.500000| |2.130775|2.322659|2.040642|2.637474|3.275733|3.308842|3.682746|3.311696|2.442973|2.171331|1.967050|1.957255|2.148547|2.423851|3.128269|1.695483|6.952283|4.165060|4.567644|4.317402|3.803650|3.559640|3.690259|3.854777|6.732730|0.133510|7.621506|12.486166|0.248792|36.858105| |1.875773|2.045816|1.841223|2.282892|2.733627|2.769437|3.194172|2.905584|2.164459|1.971303|1.811760|1.799441|1.942225|2.142737|2.916602|1.584343|5.672136|3.512069|3.893938|4.016133|3.696370|3.360903|3.282825|3.109766|5.328787|0.108535|5.182528|8.205809|0.204172|13.689701|73.516695| |1.685928|1.807010|1.638031|1.998559|2.343458|2.398451|2.826977|2.577432|1.952532|1.786393|1.667792|1.677629|1.812374|1.967108|2.751170|1.513631|4.896968|2.987232|3.398749|3.551333|3.203831|2.850331|2.764550|2.609667|4.219377|0.085759|3.933894|5.236175|0.134475|8.071355|24.101241|36.858105| |1.524413|1.636379|1.507253|1.788052|2.052276|2.093360|2.518618|2.320596|1.756996|1.636111|1.540920|1.543484|1.643304|1.759650|2.557660|1.406916|4.183801|2.574386|2.878120|3.111214|2.936431|2.613005|2.466195|2.249837|3.606425|0.073972|3.170177|4.104813|0.110869|5.256137|14.463091|12.999297|36.858105| |1.409281|1.511734|1.407535|1.637584|1.851707|1.884595|2.299777|2.135170|1.615271|1.521560|1.442382|1.441361|1.519918|1.612792|2.406705|1.324444|3.713241|2.284927|2.520473|2.754333|2.670257|2.391733|2.230437|2.008223|3.183139|0.065543|2.703149|3.391192|0.093518|4.018313|9.971624|7.187604|16.074337|36.858105| |2.266563|2.545489|2.249756|2.785798|3.401400|3.173663|3.576772|3.370131|2.304462|2.099346|1.872760|1.808423|1.934429|2.188842|2.890977|1.540508|6.064554|3.569525|3.470635|3.338288|3.295311|3.373695|3.510512|4.242671|8.364149|0.153894|8.030658|13.652697|0.258196|7.966357|12.744746|4.820434|4.072268|3.462042|73.516695| |3.242830|3.986049|3.387621|4.297874|5.350005|4.293777|4.752280|4.747718|2.839702|2.584593|2.202656|2.050173|2.170853|2.537869|3.205769|1.665115|7.179687|3.937304|3.342332|3.037427|3.121683|3.583429|4.128444|7.376959|16.916670|0.260285|7.431677|6.148863|0.164231|4.158737|6.377843|2.856364|2.538625|2.287832|11.421035|36.858105| |3.153538|3.659654|3.093204|3.670914|4.316552|3.474716|3.978242|4.067226|2.425019|2.213880|1.920785|1.809578|1.919627|2.215694|2.862962|1.504043|5.833800|3.111494|2.760206|2.523856|2.539148|2.801634|3.141908|6.070402|10.204062|0.157562|6.085722|5.043402|0.124379|3.746848|5.811362|2.687215|2.400412|2.174996|10.341259|12.506228|36.858105| |3.529224|4.680678|4.182153|4.859539|5.443476|4.302596|5.050460|5.309798|2.991606|2.807053|2.354453|2.133327|2.211463|2.578450|3.326041|1.701013|6.732472|3.716548|3.063385|2.819313|2.996512|3.591410|4.159564|6.222477|10.374864|0.205957|4.926443|4.325326|0.124614|3.223482|5.144203|2.389515|2.181089|2.006779|7.792230|12.493684|7.486400|36.858105| |17.575832|8.789327|6.828709|6.868918|4.881854|4.190710|6.326844|8.653660|3.787843|3.405605|2.836736|2.609908|2.771214|3.308718|3.986652|2.041544|5.861045|2.756915|2.351283|2.049883|2.015082|2.255235|2.684018|4.040720|4.232192|0.084675|2.657619|2.226909|0.061536|2.001463|3.149687|1.606068|1.456131|1.349353|3.693095|2.842001|2.720924|3.080326|0.500000| |17.560999|8.786709|6.885368|5.528097|4.295470|3.490657|4.887988|6.235818|2.957196|2.728634|2.323688|2.144745|2.251121|2.622049|3.349869|1.732570|5.066785|2.454690|2.121920|1.881618|1.865976|2.081361|2.427636|3.979154|4.230935|0.081978|2.633963|2.209801|0.060251|1.963396|3.108399|1.579569|1.439529|1.338110|3.771080|2.996695|3.007992|3.279483|0.300945|0.500000| |17.542194|8.721879|5.464787|6.944385|5.727833|4.451815|5.941566|7.316942|3.425849|2.974805|2.498738|2.352513|2.557749|3.088010|3.612578|1.881855|6.320069|2.900789|2.485681|2.140800|2.076362|2.302489|2.755679|5.281441|5.083062|0.096685|3.182979|2.556023|0.068821|2.276091|3.512829|1.777663|1.591567|1.462298|4.245705|3.349249|3.325875|3.464567|0.301575|0.301393|0.500000| 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|5.467639|8.750703|17.555301|6.871822|4.915911|4.127965|6.113918|8.301700|3.645991|3.686044|2.964974|2.528321|2.516455|2.923316|3.891836|1.925423|5.767631|2.996164|2.460987|2.236555|2.346286|2.794531|3.288840|4.073910|4.871623|0.102951|2.805098|2.461229|0.070949|2.099015|3.393465|1.685321|1.558811|1.459120|4.188024|3.641034|3.210614|4.784053|0.139532|0.140724|0.122207|0.212985|0.301837|0.500000| |6.905668|8.819265|17.563098|5.511980|4.063747|3.393770|4.946761|6.564104|3.038314|3.002133|2.518294|2.220053|2.235488|2.561320|3.475397|1.752991|4.886483|2.488523|2.113311|1.918913|1.970688|2.264057|2.612706|3.592212|4.156647|0.084116|2.493474|2.172594|0.061073|1.891921|3.058340|1.539798|1.425011|1.336643|3.746728|3.111285|2.955729|3.788523|0.169752|0.207608|0.140909|0.215168|0.301141|0.301203|0.500000| |3.301315|3.904135|4.126967|4.904483|4.279378|5.059358|9.827363|9.380279|8.910973|17.745527|8.951476|5.636578|4.948818|5.655922|7.621885|3.329875|7.501319|4.115143|3.299500|2.974744|3.132821|3.807310|4.595305|3.236217|4.090201|0.094167|2.583496|2.361651|0.071069|2.123198|3.447590|1.744958|1.608419|1.501812|3.766809|2.703172|2.298885|3.039496|0.098107|0.079908|0.084315|0.093590|0.129381|0.121597|0.093894|0.500000| |2.404919|2.633138|2.747582|3.069856|2.865656|3.355249|5.682156|5.206804|5.646784|8.922032|17.748190|8.945917|5.656426|4.963341|13.528702|4.876598|5.602710|3.201775|2.836573|2.674302|2.782534|3.127943|3.404567|2.357601|3.062675|0.069010|2.049844|1.936096|0.057970|1.811305|3.002574|1.560015|1.456266|1.373124|3.108077|2.048924|1.797086|2.211895|0.072012|0.060246|0.063151|0.065539|0.084880|0.078700|0.067013|0.214233|0.500000| |2.342072|2.404690|2.262183|2.891015|2.960892|3.691747|5.683361|4.638922|5.666845|4.951120|5.625461|8.869241|17.772913|8.959724|12.486337|7.421857|6.965841|3.704277|3.611303|3.148313|2.868669|2.921935|3.280622|2.509038|3.189372|0.070235|2.283643|2.117622|0.061766|2.089210|3.366355|1.790923|1.622427|1.500515|3.281661|2.012047|1.802300|2.019432|0.069916|0.057652|0.065705|0.060873|0.067084|0.061898|0.056089|0.107533|0.124091|0.500000| |3.134986|3.244149|2.860742|4.234614|4.574765|6.412675|9.730508|6.875535|8.940174|5.646225|4.962625|5.651836|8.931973|17.739576|7.461773|3.906302|12.147273|5.326045|4.703638|3.648902|3.239435|3.432605|4.268901|3.635897|4.374411|0.096570|3.082824|2.698267|0.077912|2.599005|4.012018|2.078221|1.833797|1.667165|4.066063|2.605227|2.298215|2.577493|0.092822|0.073967|0.090360|0.080986|0.083476|0.077156|0.069112|0.124298|0.107735|0.217245|0.500000| |1.959735|1.988182|1.941128|2.270526|2.242718|2.617619|4.030684|3.588299|3.749051|3.801897|4.776612|7.049398|6.713730|4.577222|16.433324|17.572702|4.741807|2.599362|2.549277|2.366087|2.248629|2.287050|2.451521|1.950151|2.505228|0.054508|1.785853|1.686374|0.049012|1.664556|2.747568|1.479313|1.369046|1.285965|2.686842|1.640651|1.493904|1.670525|0.058921|0.049496|0.054044|0.050536|0.058234|0.053155|0.049110|0.088389|0.120498|0.222181|0.112999|0.500000| |1.858340|1.925269|1.871230|2.226267|2.259760|2.681082|4.014819|3.471690|3.733552|3.780512|4.742445|7.014189|6.709319|4.561499|16.429585|17.568305|5.046424|2.891221|2.927880|2.783625|2.629173|2.607655|2.724191|1.981788|2.608533|0.057458|1.879066|1.806335|0.053146|1.797669|2.988748|1.612984|1.495391|1.404179|2.852399|1.701513|1.532208|1.719803|0.054804|0.046927|0.051490|0.049580|0.055239|0.052071|0.047202|0.087854|0.119554|0.223427|0.112594|0.298521|0.500000| |1.741523|1.794441|1.782647|2.025934|2.003723|2.308566|3.507302|3.161650|3.189991|3.419298|4.424830|5.891432|4.900820|3.617171|16.994454|17.663805|4.197486|2.387054|2.362730|2.276061|2.216111|2.239616|2.322174|1.762829|2.312127|0.050573|1.646767|1.584107|0.046436|1.562550|2.619764|1.414218|1.325481|1.255427|2.543732|1.537794|1.396210|1.575258|0.051725|0.044465|0.047669|0.046079|0.053167|0.049553|0.045358|0.082255|0.121772|0.145360|0.088932|0.299964|0.300005|0.500000| |2.354320|2.549742|2.254495|3.157085|3.910488|4.933664|5.541049|4.372007|4.018223|3.311809|3.027478|3.192377|3.806207|4.419410|4.885295|2.660659|13.429022|8.950288|17.732851|8.864562|5.620387|4.954347|5.642575|3.734417|5.395690|0.123068|4.447902|4.311258|0.129393|4.572336|6.751891|3.435882|2.848376|2.474190|5.828012|3.079247|2.633061|2.783470|0.064567|0.058035|0.069009|0.069415|0.061807|0.063719|0.056065|0.083291|0.073409|0.103845|0.137979|0.071804|0.081775|0.065193|0.500000| |1.891833|2.071367|1.912432|2.450669|2.863811|3.351180|4.058812|3.400996|3.039946|2.768883|2.645623|2.740076|2.999918|3.178004|4.421401|2.412832|7.586519|5.669021|8.955333|17.727158|8.903014|5.657078|4.945896|2.790508|4.275176|0.098311|3.447128|3.840420|0.123320|4.165244|7.151478|3.751239|3.306624|2.924840|5.491346|2.679433|2.292580|2.471180|0.051796|0.047819|0.054163|0.057110|0.052360|0.055236|0.048255|0.071819|0.067059|0.081922|0.090563|0.063035|0.074840|0.061086|0.214021|0.500000| |1.853086|2.088423|1.992051|2.439098|2.762529|3.138347|3.933129|3.394656|2.934357|2.853078|2.714301|2.654098|2.718400|2.854314|4.319335|2.265197|6.491913|4.962709|5.636987|8.893747|17.740282|8.922225|5.628466|2.650858|4.176087|0.099199|3.111604|3.541753|0.121011|3.429142|6.223151|3.112577|2.962868|2.754082|5.387708|2.785300|2.314076|2.692172|0.050531|0.047244|0.051826|0.057867|0.054300|0.059178|0.050200|0.077096|0.071094|0.071335|0.077071|0.058141|0.068268|0.058473|0.123667|0.214433|0.500000| |2.215694|2.616815|2.550476|3.113022|3.463862|3.903087|4.989960|4.355772|3.602158|3.644813|3.262991|2.954139|2.931382|3.198121|4.642295|2.318174|7.430852|5.672179|4.953587|5.653574|8.929170|17.726877|8.935522|3.171994|5.022865|0.126652|3.354895|3.585189|0.124064|3.120208|5.380706|2.588976|2.436194|2.272161|5.578007|3.430240|2.695682|3.585130|0.060084|0.056079|0.060588|0.072253|0.068984|0.078622|0.062902|0.104198|0.085961|0.073283|0.083267|0.059728|0.067447|0.059519|0.107565|0.124220|0.214900|0.500000| |3.076832|3.847526|3.587608|5.155386|6.036271|7.425537|9.049488|7.292623|5.686375|5.272714|4.085414|3.552028|3.671087|4.468798|5.198546|2.539342|12.492764|8.879837|5.621204|4.947428|5.634424|8.893818|17.735068|4.794867|7.129864|0.197487|4.224375|3.937691|0.129516|3.268409|5.190258|2.473303|2.231365|2.038475|5.905164|4.386734|3.285411|4.777719|0.082986|0.074761|0.083671|0.103354|0.096295|0.111108|0.083799|0.153687|0.100999|0.087768|0.115344|0.067100|0.072510|0.063408|0.124090|0.107448|0.124012|0.215823|0.500000| |4.345707|4.746443|3.501864|5.749357|8.898291|6.557383|6.401794|6.101053|3.586445|2.955055|2.485279|2.400547|2.703656|3.353506|3.660319|1.930031|10.753893|4.607090|3.885537|3.144223|2.921287|3.195988|3.991445|17.646832|12.337085|0.195505|8.014258|4.895981|0.122946|4.080173|5.673860|2.718392|2.300627|2.034871|7.360259|5.759400|5.300804|4.698304|0.105704|0.102720|0.142564|0.142268|0.088455|0.094279|0.087039|0.081185|0.061776|0.070334|0.103438|0.054154|0.054917|0.048469|0.108849|0.077797|0.070369|0.079648|0.113235|0.500000| |5.295783|6.493101|4.480528|6.853884|8.967222|5.573587|6.032194|6.451975|3.335583|2.890095|2.403378|2.248373|2.440085|2.963016|3.452634|1.794215|8.204741|3.853758|3.190489|2.726907|2.670978|3.025437|3.711378|17.724237|12.223979|0.189704|6.015846|4.218806|0.109957|3.362842|4.982133|2.381268|2.088055|1.884142|6.991089|7.481591|7.068905|6.691241|0.118641|0.127354|0.164994|0.231941|0.105397|0.121271|0.111767|0.082921|0.060872|0.062563|0.086798|0.050097|0.050363|0.045531|0.085702|0.067380|0.065489|0.078577|0.112456|0.304867|0.500000| |2.966210|3.282322|2.701947|3.978581|5.657146|5.555951|5.451874|4.769456|3.335660|2.792838|2.418246|2.381600|2.691308|3.244292|3.671362|1.957231|12.056817|5.986867|5.535762|4.333461|3.799156|3.938200|4.774845|7.417300|12.528777|0.228647|17.631002|8.892157|0.205680|7.306178|8.620664|3.866607|3.065916|2.604803|10.300190|5.534032|4.671438|4.179113|0.076180|0.073014|0.090651|0.095915|0.070092|0.075958|0.067740|0.075400|0.060264|0.071115|0.099924|0.054018|0.057028|0.049198|0.155885|0.106205|0.089287|0.093435|0.121267|0.241861|0.152753|0.500000| |2.903730|3.181220|2.620052|3.550203|4.671564|4.101759|4.361681|4.107473|2.684864|2.337413|2.045093|1.992255|2.194173|2.571442|3.128337|1.671361|7.738013|3.993973|3.724385|3.223924|3.000357|3.135713|3.591697|6.950961|12.323705|0.182342|17.656804|8.861408|0.174217|6.643167|8.393619|3.746118|3.036049|2.602163|13.436774|6.736925|6.741468|4.486408|0.072469|0.073704|0.089337|0.097856|0.066423|0.073490|0.067522|0.064625|0.051999|0.058206|0.077363|0.046289|0.048149|0.042590|0.103381|0.081885|0.073881|0.078609|0.096438|0.220605|0.168336|0.301181|0.500000| |2.147653|2.330176|2.045727|2.701356|3.378236|3.565918|3.943605|3.455801|2.652332|2.325534|2.114670|2.130828|2.372660|2.682925|3.390381|1.846236|7.909047|4.827308|5.738544|5.249588|4.272781|3.854352|4.026966|3.817066|6.360760|0.131584|6.809639|8.802795|0.218019|17.527339|16.505379|7.091984|4.746544|3.700362|10.167992|3.753580|3.318106|3.032741|0.056677|0.054465|0.063774|0.067050|0.054157|0.058231|0.052277|0.062237|0.053612|0.064470|0.080837|0.050286|0.054893|0.046952|0.166400|0.142425|0.104383|0.090924|0.095981|0.113705|0.090373|0.213548|0.158236|0.500000| |2.118193|2.266578|1.975589|2.530959|3.112824|3.076947|3.453725|3.152137|2.283666|2.024584|1.839234|1.838117|2.024824|2.281457|2.948573|1.608066|6.304735|3.584951|3.849064|3.561517|3.154658|3.003928|3.166559|3.748558|6.209285|0.117241|7.070722|8.827310|0.174356|17.495900|16.537584|7.283125|4.815886|3.739255|12.547717|3.896196|3.746626|3.011347|0.055051|0.054518|0.063601|0.066700|0.051669|0.055817|0.051307|0.054966|0.047094|0.055065|0.068595|0.044205|0.047167|0.041235|0.110982|0.096757|0.079931|0.074389|0.080008|0.114323|0.092700|0.188797|0.199915|0.299315|0.500000| |1.675731|1.788801|1.622105|1.998932|2.344465|2.452578|2.899321|2.609518|2.028360|1.847093|1.736161|1.765200|1.920607|2.073131|2.898636|1.605396|5.111134|3.147414|3.738538|3.954296|3.417014|2.947318|2.848407|2.558209|4.052225|0.083691|3.737688|4.728972|0.126149|7.214531|16.530842|17.543031|9.078989|5.986674|7.290276|2.673989|2.484009|2.276581|0.044686|0.043392|0.049096|0.051274|0.043322|0.046231|0.042172|0.049632|0.044930|0.053119|0.061125|0.043520|0.047915|0.041559|0.107408|0.121048|0.092003|0.073230|0.069741|0.074502|0.064148|0.106815|0.097092|0.211151|0.177403|0.500000| |1.673393|1.773799|1.598900|1.942899|2.270533|2.293646|2.706934|2.489805|1.860160|1.695664|1.582220|1.594844|1.728850|1.879825|2.617712|1.445505|4.626133|2.735070|3.051069|3.079618|2.777917|2.532202|2.512292|2.562861|4.061456|0.080574|3.826875|4.804246|0.117359|7.262340|16.523762|17.541287|9.079427|5.990163|8.160772|2.758744|2.680370|2.293367|0.044163|0.043718|0.049355|0.051560|0.042323|0.045368|0.041975|0.046013|0.041098|0.047632|0.055546|0.039504|0.042622|0.037536|0.087431|0.089337|0.074373|0.064276|0.063421|0.075350|0.065606|0.104306|0.105935|0.172875|0.219906|0.301201|0.500000| |1.318326|1.412297|1.325749|1.519492|1.698600|1.725850|2.128798|1.988399|1.502791|1.427704|1.360398|1.357217|1.420947|1.497555|2.279950|1.255362|3.364481|2.065596|2.254689|2.470750|2.436368|2.199655|2.040267|1.827303|2.866606|0.059140|2.378673|2.909398|0.081038|3.306933|7.706903|5.137354|8.493368|18.008944|5.345134|2.086830|1.993208|1.860562|0.035135|0.034919|0.037827|0.040790|0.035325|0.038222|0.035100|0.039258|0.036180|0.038972|0.042758|0.033815|0.036881|0.033217|0.061247|0.072661|0.070694|0.058855|0.052240|0.051145|0.047996|0.063639|0.063860|0.085666|0.086380|0.126112|0.126195|0.500000| |2.038991|2.269054|2.039840|2.470585|2.948303|2.817198|3.241634|3.046188|2.131867|1.962228|1.772598|1.719826|1.830414|2.042420|2.773658|1.484919|5.432747|3.266191|3.278052|3.268941|3.245721|3.227942|3.235387|3.522469|6.497140|0.125644|5.967534|9.922197|0.222945|7.809380|15.545905|5.606554|4.883026|4.108452|35.573817|4.980161|4.609646|3.720158|0.052425|0.053311|0.059328|0.068405|0.052446|0.059393|0.053334|0.054875|0.046221|0.048791|0.059028|0.040343|0.043092|0.038480|0.086138|0.085881|0.084959|0.084131|0.084073|0.096286|0.091359|0.132586|0.157456|0.153925|0.187969|0.125564|0.144254|0.097462|0.500000| |2.757026|3.305486|2.922056|3.595466|4.384100|3.808824|4.282854|4.173470|2.648507|2.441559|2.113600|1.977315|2.082611|2.397093|3.118417|1.625462|6.697565|3.887705|3.407214|3.205728|3.354985|3.800836|4.159530|5.532527|12.503387|0.229941|7.152743|7.283014|0.202304|4.617385|7.342467|3.174250|2.846576|2.561219|14.962924|17.697403|8.975331|8.935062|0.068710|0.071353|0.078670|0.104781|0.072079|0.087900|0.075053|0.070586|0.054944|0.053903|0.068046|0.044207|0.046409|0.041859|0.086013|0.078789|0.084083|0.101868|0.118356|0.130165|0.148032|0.146181|0.173364|0.112035|0.115877|0.081095|0.083651|0.064599|0.176798|0.500000| |3.655866|4.185983|3.409403|4.006929|4.585277|3.544111|4.101751|4.310054|2.468104|2.240369|1.934599|1.821355|1.937684|2.249460|2.873872|1.509456|5.762917|2.969967|2.614157|2.356846|2.349694|2.596418|2.959141|6.577086|9.043782|0.141397|5.312222|4.195371|0.104956|3.299103|5.082367|2.416195|2.157801|1.963296|8.022708|8.708009|17.580649|6.710815|0.085082|0.097717|0.108753|0.148438|0.080807|0.095705|0.091560|0.064682|0.050167|0.050492|0.065064|0.041915|0.042483|0.038871|0.070130|0.059605|0.059364|0.069281|0.087145|0.159844|0.246865|0.121243|0.166846|0.083583|0.093167|0.062995|0.067509|0.050228|0.103471|0.173569|0.500000| |2.852782|3.299737|2.916222|3.221296|3.608159|2.993885|3.540279|3.654751|2.201653|2.050319|1.795625|1.684979|1.766163|2.009697|2.689140|1.412134|5.031505|2.744922|2.463197|2.305093|2.357778|2.597816|2.835731|4.625677|7.505986|0.127902|4.672740|4.264046|0.108884|3.284317|5.329529|2.498317|2.290738|2.109589|9.143974|8.988175|17.585442|6.951695|0.068999|0.077276|0.081724|0.110936|0.070195|0.085201|0.078932|0.059610|0.047154|0.046106|0.057283|0.038862|0.039857|0.036638|0.064966|0.058601|0.060654|0.070902|0.082746|0.113675|0.147403|0.104297|0.139070|0.080883|0.090673|0.063790|0.069050|0.054298|0.119558|0.217306|0.303345|0.500000| |2.833599|3.166065|2.687587|3.240101|3.864855|3.237174|3.685451|3.684101|2.285065|2.072794|1.819877|1.737561|1.856973|2.131079|2.762709|1.464820|5.645373|3.023057|2.765173|2.534205|2.503590|2.687898|2.971803|5.414841|9.221980|0.143037|6.710616|5.666818|0.129949|4.263071|6.515599|2.993240|2.632487|2.356647|12.431813|8.759948|17.629575|5.460711|0.069034|0.075009|0.084471|0.103260|0.066164|0.076534|0.071463|0.058975|0.047215|0.048913|0.062067|0.040467|0.041677|0.037788|0.074384|0.064775|0.063637|0.070981|0.083817|0.143706|0.162706|0.138419|0.233590|0.101208|0.122954|0.075590|0.084457|0.059423|0.149120|0.215919|0.299443|0.304179|0.500000| |3.383529|4.545173|4.221274|5.061976|5.654224|4.745004|5.628749|5.782366|3.339796|3.176956|2.626747|2.342608|2.406180|2.812859|3.624424|1.832171|7.389639|4.245424|3.382875|3.133886|3.433140|4.332830|5.104809|5.730053|9.597110|0.225626|4.680543|4.259120|0.130287|3.205813|5.157664|2.395134|2.194033|2.022246|7.303350|8.751061|5.455675|17.559959|0.084428|0.085878|0.090978|0.142099|0.100760|0.139304|0.102708|0.097010|0.068505|0.060317|0.076758|0.049576|0.051501|0.047016|0.083066|0.074789|0.084647|0.122394|0.172617|0.121673|0.155821|0.114847|0.112983|0.085689|0.081217|0.064148|0.062904|0.052131|0.099171|0.211795|0.138107|0.141421|0.122278|0.500000| |3.090861|3.938796|3.724362|3.903291|4.168479|3.468771|4.220650|4.451201|2.595512|2.490322|2.132827|1.936336|1.984971|2.266980|3.061669|1.571626|5.578110|3.143048|2.681678|2.536208|2.726027|3.207614|3.530291|4.664280|7.571562|0.150390|4.095004|3.829218|0.109954|2.931194|4.833085|2.266618|2.110466|1.966785|7.296579|8.952433|6.831699|17.587118|0.075722|0.082236|0.083615|0.130840|0.087441|0.118962|0.097444|0.075102|0.056450|0.050688|0.062648|0.042796|0.044068|0.040753|0.068053|0.062701|0.069661|0.091308|0.110139|0.105046|0.141211|0.097013|0.107011|0.075747|0.076541|0.059468|0.060519|0.051107|0.099538|0.218699|0.165664|0.208060|0.141066|0.302732|0.500000| 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