Version2.4
2021-06-08T23:18:07Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
16-Apr-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc(cc1)C(CN2C(=O)C[C@H](C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)c5ccccc5 C12375976
RHF
6-31G(d)
(6D,7F)
c1ccc(cc1)C(CN2C(=O)C[C@H](C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)c5ccccc5
C01[X(C29H37N4O3)]
213
C1
614
NC(=O)C1(CCN(CC1)[C@@H]1CC(=O)N(C1=O)CC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1
NC(=O)C1(CCN(CC1)[C@@H]1CC(=O)N(C1=O)CC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1
NC(=O)C1(CCN(CC1)[C@@H]2CC(=O)N(CC(c3ccccc3)c4ccccc4)C2=O)[NH+]5CCCCC5
InChIKey=UUBITFCZCTULGD-RUZDIDTESA-O
InChI=1S/C29H36N4O3/c30-28(36)29(32-16-8-3-9-17-32)14-18-31(19-15-29)25-20-26(34)33(27(25)35)21-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H2,30,36)/p+1/t25-/m1/s1
InChI=1/C29H36N4O3/c30-28(36)29(32-16-8-3-9-17-32)14-18-31(19-15-29)25-20-26(34)33(27(25)35)21-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H2,30,36)/p+1/t25-/m1/s1/fC29H37N4O3/h32H,30H2/q+1
c1ccc(cc1)C(CN2C(=O)C[C@H](C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)c5ccccc5
C01[X(C29H37N4O3)]
213
C01
614
NC(=O)C1(CCN(CC1)[C@@H]1CC(=O)N(C1=O)CC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1
O=C1[C@@H](CC(=O)N1CC([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)[N@@]1CC[C@](CC1)([NH]1CCCCC1)[C]([NH2])=O
NC(=O)[C@]1(CCN(CC1)[C@@H]2CC(=O)N(CC([C]3[CH][CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH][CH]4)C2=O)[NH]5CCCCC5
InChIKey=HRJJCPAATPNGTG-RUZDIDTESA-N
InChI=1S/C29H37N4O3/c30-28(36)29(32-16-8-3-9-17-32)14-18-31(19-15-29)25-20-26(34)33(27(25)35)21-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24-25,32H,3,8-9,14-21H2,(H2,30,36)/t25-/m1/s1
InChI=1/C29H37N4O3/c30-28(36)29(32-16-8-3-9-17-32)14-18-31(19-15-29)25-20-26(34)33(27(25)35)21-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24-25,32H,3,8-9,14-21H2,(H2,30,36)/t25-/m1/s1/f/h30H2
3886.1260676404
-1561.9729095
1-A
26286.4820
131
483
614
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11.07848
-22.7869 0.0445 1.9222
22.8678
|XX|YY|ZZ|XY|XZ|YZ|
-52.7479 -188.4508 -212.4976 4.8036 -16.0972 10.3047
|XX|YY|ZZ|XY|XZ|YZ|
98.4842 -37.2187 -61.2655 4.8036 -16.0972 10.3047
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-1012.0768 36.6096 -23.6807 -13.5213 11.0920 89.6428 -54.0413 -5.7812 -25.3063 -14.3650
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
10.7063 17.5591 20.1114 22.8469 33.0083 41.0061 49.3675 60.4998 64.4952 73.8646 81.4121 99.7985 109.2316 125.8314 146.8664 165.1342 174.3209 185.6002 187.9853 232.6965 241.8162 245.8997 267.5243 271.8726 286.0662 293.3320 309.8715 327.7218 335.4530 345.9371 362.0938 385.7549 391.4615 418.0323 440.7168 454.8928 455.6646 458.6722 474.4061 479.7868 487.5926 512.6646 527.3798 533.8944 538.4987 573.9135 593.9646 605.6076 616.5688 626.4798 643.2254 660.6678 668.1273 678.9332 684.2867 688.5067 701.4147 739.0643 764.8433 770.2312 781.6431 785.4470 817.4033 839.6157 849.9440 865.2054 869.4256 871.0628 874.9715 898.7829 907.7150 923.8383 944.4680 957.0089 957.4210 963.9452 975.8153 1010.8040 1019.3225 1029.5293 1036.3661 1038.0683 1045.3940 1048.9670 1056.6225 1088.9476 1090.3787 1097.3797 1102.3027 1104.9037 1109.7023 1113.1004 1118.8143 1130.1419 1131.4468 1132.6682 1137.1181 1137.6585 1139.7393 1146.0664 1160.2176 1166.7054 1168.8093 1184.6713 1186.7321 1195.1967 1210.9519 1212.3273 1230.6715 1233.0308 1251.3555 1263.7333 1284.9218 1290.0719 1295.2232 1305.3453 1307.9480 1309.0035 1313.5305 1319.7391 1334.5709 1339.5644 1341.7302 1352.0903 1362.0897 1395.1842 1408.4586 1416.6640 1427.1267 1431.4134 1433.0206 1444.2909 1458.3608 1468.7614 1480.4517 1489.6491 1492.6304 1495.0339 1506.3801 1508.0986 1522.3444 1525.9284 1529.2331 1532.4426 1541.5230 1543.3343 1544.2702 1555.4663 1556.4695 1570.3856 1580.3768 1588.9036 1615.5843 1619.6141 1622.0895 1626.4064 1629.6039 1630.4705 1635.1565 1643.8876 1645.3711 1646.1700 1654.9353 1661.8967 1668.6864 1670.9249 1674.1179 1675.6793 1783.7150 1784.9919 1807.6272 1807.9772 1811.9297 1957.6050 1966.7877 2054.4143 3198.4468 3202.5989 3204.9298 3207.4945 3218.3634 3223.1503 3226.6896 3252.4130 3260.1624 3263.7738 3272.8711 3273.8269 3274.3041 3276.2622 3283.4547 3284.0813 3288.7966 3305.1998 3315.2435 3317.5147 3337.0879 3348.4801 3350.4628 3352.2624 3362.5414 3363.1776 3368.5287 3373.0362 3373.9492 3384.6501 3387.0179 3393.3932 3396.2719 3403.1625 3698.0164 3825.7689 3975.3633
5.6135 5.1666 4.5430 3.9084 5.1040 4.9571 5.4002 4.7956 5.0705 3.9423 4.1415 3.9957 6.5947 4.0850 4.2597 5.1141 4.2627 3.7290 4.2696 2.5381 3.3885 4.9391 4.1157 4.1177 3.2348 5.1261 4.4929 2.0480 2.5393 3.4013 2.1266 2.7748 3.4984 1.7887 2.5726 2.9153 3.4004 2.9430 2.4669 2.5037 2.8705 3.4906 2.6291 3.3445 2.1820 3.8453 3.2217 2.6997 3.4691 1.6419 2.9564 4.3178 3.6062 6.4010 6.0308 2.7924 4.9714 2.8967 4.5285 2.8593 2.1877 1.8571 2.2387 3.1985 1.8347 2.4510 2.3398 2.2237 2.4871 2.2855 2.2014 2.5927 3.0577 1.6503 1.2618 1.2483 2.3808 2.4404 3.1110 1.7982 1.8995 1.7609 1.7737 1.4885 2.2126 5.6392 6.1676 2.4502 1.4362 2.4822 1.5702 2.0767 2.2239 1.3507 1.3535 2.3300 3.0103 2.3576 2.4075 1.7721 2.4126 2.6962 1.9304 2.2619 1.7605 2.5703 2.5952 1.8239 1.1297 2.0778 2.3291 2.4395 1.8898 1.6661 2.3178 1.7407 1.1788 1.3239 2.1900 1.5360 1.5100 1.7915 1.0974 2.0552 2.1840 1.2114 1.3725 1.2681 1.3865 1.3751 1.4348 1.5635 1.2923 1.6441 1.3891 1.3228 1.2844 1.5215 1.4447 1.6392 1.4369 1.4940 1.4883 1.4026 1.4888 1.4656 1.4691 1.5890 1.6026 1.2656 2.5285 1.4423 1.2682 2.1174 1.1594 2.0038 1.1000 1.0986 1.1033 1.1023 1.1243 1.1008 1.1372 1.0898 1.0883 2.1389 2.1098 1.1032 5.0611 5.0551 1.4239 3.4844 5.1650 8.5904 12.1420 12.1153 1.0726 1.0711 1.0730 1.0710 1.0659 1.0664 1.0676 1.0868 1.0680 1.0857 1.0945 1.0676 1.0941 1.0977 1.0924 1.1014 1.0965 1.0640 1.1025 1.0972 1.0613 1.0898 1.0997 1.0882 1.0886 1.0892 1.1092 1.0927 1.0936 1.0949 1.0963 1.0981 1.0959 1.1116 1.0773 1.0526 1.0998
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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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73
6 6 6 6 6 6 6 6 7 6 8 6 6 1 6 8 7 6 6 6 6 6 6 8 7 7 1 6 6 6 6 6 6 6 6 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
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7585.1162 42120.2433 44731.2919
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1
0.01142 0.00206 0.00194
0.23793 0.04285 0.04035
15.40 25.26 28.94 32.87 47.49 59.00 71.03 87.05 92.79 106.27 117.13 143.59 157.16 181.04 211.31 237.59 250.81 267.04 270.47 334.80 347.92 353.79 384.91 391.16 411.59 422.04 445.84 471.52 482.64 497.73 520.97 555.02 563.23 601.46 634.09 654.49 655.60 659.93 682.56 690.31 701.54 737.61 758.78 768.15 774.78 825.73 854.58 871.33 887.10 901.36 925.46 950.55 961.29 976.83 984.54 990.61 1009.18 1063.35 1100.44 1108.19 1124.61 1130.08 1176.06 1208.02 1222.88 1244.84 1250.91 1253.27 1258.89 1293.15 1306.00 1329.20 1358.88 1376.92 1377.52 1386.90 1403.98 1454.32 1466.58 1481.26 1491.10 1493.55 1504.09 1509.23 1520.24 1566.75 1568.81 1578.88 1585.97 1589.71 1596.61 1601.50 1609.72 1626.02 1627.90 1629.66 1636.06 1636.84 1639.83 1648.93 1669.29 1678.63 1681.66 1704.48 1707.44 1719.62 1742.29 1744.27 1770.66 1774.06 1800.42 1818.23 1848.72 1856.13 1863.54 1878.10 1881.85 1883.36 1889.88 1898.81 1920.15 1927.33 1930.45 1945.36 1959.74 2007.36 2026.46 2038.26 2053.32 2059.48 2061.80 2078.01 2098.26 2113.22 2130.04 2143.27 2147.56 2151.02 2167.34 2169.82 2190.31 2195.47 2200.23 2204.84 2217.91 2220.51 2221.86 2237.97 2239.41 2259.43 2273.81 2286.08 2324.47 2330.26 2333.83 2340.04 2344.64 2345.88 2352.63 2365.19 2367.32 2368.47 2381.08 2391.10 2400.87 2404.09 2408.68 2410.93 2566.37 2568.21 2600.77 2601.28 2606.96 2816.56 2829.77 2955.84 4601.85 4607.83 4611.18 4614.87 4630.51 4637.39 4642.49 4679.50 4690.65 4695.84 4708.93 4710.31 4710.99 4713.81 4724.16 4725.06 4731.84 4755.45 4769.90 4773.16 4801.33 4817.72 4820.57 4823.16 4837.95 4838.86 4846.56 4853.05 4854.36 4869.76 4873.16 4882.34 4886.48 4896.39 5320.62 5504.43 5719.66
0.681444
0.711530
0.712474
0.615889
-1561.291466
-1561.261380
-1561.260436
-1561.357020
3.239443D-04
MUNgauss
RevisionA2.1
retrievium
08-Jun-2021
DUDE c1ccc(cc1)C(CN2C(=O)C[C@H](C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)c5ccccc5 C12375976
RHF
6-31G(d)
(6D,10F)
C1
489.286566
|X|Y|Z|
54.503764 39.442779 147.512057
68.193111
31
|36.858105|
|13.746114|36.858105|
|7.937764|13.763240|36.858105|
|6.802699|7.875250|13.682589|36.858105|
|7.920713|6.887922|7.979405|13.694912|36.858105|
|13.765939|7.968366|6.907219|7.885832|13.731190|36.858105|
|4.405224|5.018101|7.600403|12.489518|7.413064|4.963326|36.858105|
|3.665723|3.859653|5.045703|7.381464|6.240832|4.323462|12.366818|36.858105|
|3.666504|3.797834|4.720897|6.296106|5.748289|4.277090|7.580861|13.009792|53.358707|
|3.573166|3.471635|3.985442|5.114356|5.461348|4.325805|5.280629|7.589623|18.705998|36.858105|
|3.516435|3.278763|3.658879|4.755086|5.588048|4.461708|4.764982|6.603601|11.352469|16.065239|73.516695|
|3.196354|3.134901|3.457195|4.025099|4.161168|3.634282|4.028995|5.055324|11.016471|12.564385|14.003919|36.858105|
|3.193701|3.315740|3.760346|4.171246|3.938649|3.438061|4.287779|5.058254|11.028012|7.907305|9.505539|12.439219|36.858105|
|3.582666|3.755546|4.157655|4.391492|4.128042|3.736419|4.208939|4.551394|9.037868|6.472312|8.424394|8.909621|17.576935|0.500000|
|3.352843|3.613825|4.440487|5.201648|4.503062|3.648671|6.049249|7.639105|18.980350|8.300061|9.888517|7.927779|12.447845|0.252430|36.858105|
|3.073194|3.440527|4.309770|4.759116|3.905398|3.224426|5.891821|6.593497|11.361372|5.545490|7.507751|5.362670|7.841461|0.186490|15.945686|73.516695|
|2.606731|2.721434|3.018252|3.219467|3.035031|2.734763|3.372515|3.867625|7.244036|5.210869|7.097535|7.528814|13.133399|0.257893|7.548635|11.434860|53.358707|
|2.509783|2.690133|2.955926|3.000331|2.757029|2.538334|3.105682|3.330648|5.759114|3.944500|5.654038|5.015494|7.809130|0.212036|5.898835|10.486383|17.834610|36.858105|
|2.112763|2.231796|2.395600|2.419911|2.270767|2.130324|2.496477|2.671582|4.404139|3.133348|4.705722|3.903193|5.083807|0.136985|4.096757|7.338621|10.634717|12.472988|36.858105|
|1.895634|1.992754|2.161213|2.222928|2.090311|1.937089|2.357545|2.579116|4.160174|2.949070|4.493716|3.555717|4.359451|0.109956|3.772387|6.889520|8.808958|7.501665|12.371709|36.858105|
|1.959671|2.032385|2.223623|2.355530|2.243910|2.048266|2.532447|2.893389|4.788112|3.476262|5.243760|4.298240|5.044034|0.117462|4.284672|7.449827|10.569823|6.634002|7.609115|12.332515|36.858105|
|2.281503|2.376980|2.662519|2.888601|2.721415|2.419212|3.166942|3.765025|6.675681|4.710100|6.672366|6.015968|7.786741|0.158681|6.462192|10.661589|17.907552|7.978324|6.578183|7.371491|12.415106|36.858105|
|1.814643|1.938736|2.125087|2.162887|1.994089|1.837865|2.336550|2.506319|3.892892|2.655735|4.085299|3.025041|3.720551|0.095510|3.525126|6.879994|6.725679|5.990049|7.585874|12.301723|7.211673|5.673342|36.858105|
|1.723368|1.848933|2.004211|2.004567|1.847108|1.723537|2.136608|2.237395|3.414139|2.336907|3.642888|2.629635|3.186810|0.084891|3.032264|5.921412|5.473314|5.042738|6.494062|8.055312|5.116156|4.268906|15.885015|73.516695|
|1.810477|1.940938|2.162861|2.231332|2.038433|1.849552|2.481255|2.696017|4.103848|2.732722|4.210248|3.006314|3.651543|0.091275|3.693840|7.462336|6.262374|5.070462|5.391779|7.649028|6.537221|5.753169|14.225346|15.193900|53.358707|
|1.673803|1.739830|1.854031|1.897956|1.813052|1.706118|1.985908|2.153663|3.391188|2.466164|3.874590|2.928080|3.346869|0.086834|2.922592|5.248554|6.113131|4.912538|7.557688|12.318633|7.675430|4.915619|7.723270|11.985675|7.398239|53.358707|
|1.687037|1.734902|1.837619|1.893769|1.831980|1.730525|1.965433|2.150409|3.419689|2.546980|4.019142|3.085230|3.422991|0.088388|2.905458|5.075389|6.249383|4.712936|6.909838|9.351446|7.771109|4.952648|5.769302|8.955675|6.118159|25.725634|0.500000|
|1.600148|1.667405|1.753276|1.763718|1.684791|1.608428|1.817512|1.925674|2.990529|2.171431|3.446958|2.542993|2.899876|0.078354|2.551472|4.609835|5.025254|4.274904|6.483777|7.257518|4.920696|3.728964|5.962399|11.432115|5.827403|17.059460|0.260676|36.858105|
|1.447747|1.492935|1.555143|1.568523|1.516444|1.458840|1.606973|1.703334|2.614575|1.927429|3.115718|2.232384|2.447774|0.066247|2.169749|3.870637|4.068198|3.267111|4.420640|4.855493|3.890142|3.041454|4.167504|7.794466|4.525358|10.402111|0.205084|12.490086|36.858105|
|1.339198|1.380224|1.445334|1.467102|1.418017|1.356552|1.519036|1.618136|2.451132|1.800142|2.934412|2.046209|2.213646|0.059060|2.011184|3.611569|3.620755|2.825049|3.614489|4.265031|3.620328|2.820732|3.911462|7.208103|4.466670|8.772200|0.168322|7.520583|12.474044|36.858105|
|1.383606|1.423498|1.504232|1.545561|1.494635|1.415542|1.618385|1.751731|2.665049|1.960811|3.188253|2.233951|2.400805|0.062598|2.186657|3.914287|3.984289|3.002981|3.795171|4.898408|4.415317|3.257851|4.367338|7.452130|5.136301|10.367156|0.203500|6.507148|7.615867|12.473107|36.858105|
|1.516078|1.573679|1.682496|1.732136|1.655863|1.552006|1.834438|1.996353|3.067389|2.220143|3.546427|2.547139|2.825814|0.072616|2.580381|4.685966|4.877434|3.738566|4.899647|7.436175|6.142767|4.152115|6.608882|10.460812|7.337456|17.139101|0.259604|7.706084|6.554689|7.556193|12.496447|36.858105|
|3.717905|4.148603|5.662092|7.442888|5.562116|4.107694|12.462657|7.651390|6.786865|3.922080|6.743869|3.116355|3.227504|0.087524|4.207749|7.621795|3.678358|2.531426|2.117473|2.041610|2.179306|2.627076|2.056692|3.379865|3.003349|2.388699|0.048106|1.616252|1.445817|1.382480|1.470955|1.651567|36.858105|
|3.051389|3.466026|4.526582|5.141538|4.013269|3.217521|7.560518|5.656304|5.575741|3.256904|5.509431|2.724078|2.900086|0.078274|3.745925|7.236575|3.441968|2.424629|2.055878|2.008715|2.117149|2.509937|2.073252|3.427309|3.072930|2.353198|0.046915|1.596150|1.425400|1.372413|1.459455|1.644163|13.706235|36.858105|
|2.634260|2.917140|3.567105|3.909898|3.293901|2.760833|5.004565|4.183516|4.380273|2.700643|4.688529|2.302953|2.405908|0.065027|2.964672|5.637409|2.924679|2.070196|1.799594|1.775462|1.864457|2.156228|1.839021|3.066955|2.723471|2.115933|0.042212|1.443501|1.302544|1.263390|1.340590|1.495412|7.883841|13.743243|36.858105|
|2.616038|2.805813|3.313415|3.689145|3.283957|2.786784|4.406694|3.805020|4.021334|2.572211|4.603017|2.175901|2.211650|0.059966|2.653293|4.872332|2.678649|1.878214|1.647264|1.622646|1.713325|1.967237|1.658581|2.770720|2.431239|1.955605|0.039298|1.337439|1.217684|1.181825|1.252481|1.383600|6.815263|7.939493|13.766083|36.858105|
|3.000219|3.132417|3.689162|4.316389|3.986117|3.307069|4.976327|4.269244|4.409759|2.863096|5.251489|2.359325|2.345378|0.063788|2.801539|4.982250|2.783719|1.925217|1.677318|1.638821|1.744716|2.020883|1.649114|2.743911|2.395089|1.974666|0.039966|1.348398|1.229642|1.187609|1.259072|1.387255|7.896702|6.902834|7.962983|13.744901|36.858105|
|3.663777|3.842697|4.780460|6.180835|5.506908|4.189854|7.448482|5.863740|5.631491|3.551091|6.486644|2.817096|2.794555|0.076109|3.430017|5.982881|3.217306|2.199776|1.878635|1.816595|1.946058|2.302531|1.811545|2.992761|2.622261|2.163008|0.043880|1.470139|1.331268|1.276682|1.355845|1.503358|13.693517|7.974352|6.886602|7.926220|13.759624|36.858105|
|17.718912|8.900297|5.643005|4.915524|5.635756|8.908048|3.528173|3.050936|4.204972|3.082636|5.449127|2.847762|2.826400|0.088071|2.881251|4.732336|3.224196|2.302274|1.975999|1.770342|1.817308|2.078617|1.690693|2.876076|2.278939|2.154634|0.044431|1.527176|1.392189|1.285641|1.320033|1.434714|3.091335|2.621024|2.320261|2.322343|2.630261|3.093771|0.500000|
|8.907199|17.713974|8.930544|5.622569|4.959527|5.655743|4.106130|3.253146|4.397115|2.967378|4.966388|2.770655|2.979974|0.094158|3.187139|5.538088|3.439071|2.564397|2.157987|1.917403|1.923516|2.210895|1.880179|3.227262|2.544278|2.294798|0.046497|1.635503|1.465902|1.352166|1.383323|1.524604|3.551060|3.122571|2.687953|2.569819|2.792693|3.289151|0.214336|0.500000|
|5.651642|8.945695|17.699074|8.911502|5.660892|4.968359|7.117528|4.696532|5.930355|3.573196|5.740926|3.187107|3.604743|0.109747|4.350596|8.035239|4.064482|3.012082|2.439785|2.206103|2.235984|2.660940|2.213280|3.735156|3.082630|2.561909|0.051292|1.786649|1.574470|1.465750|1.521978|1.712268|5.613417|4.899016|3.791524|3.373713|3.582157|4.468591|0.124239|0.216373|0.500000|
|5.658834|4.961702|5.650868|8.870135|17.736638|8.978117|6.797203|6.843956|8.327324|6.233022|12.677265|4.386005|3.902903|0.108685|4.453623|6.715023|4.107213|2.667001|2.220162|2.077411|2.273678|2.768859|1.969318|3.217006|2.759861|2.461486|0.051039|1.664183|1.505770|1.416594|1.504779|1.663382|5.401043|3.890123|3.249730|3.302433|4.087809|5.646050|0.124471|0.107667|0.123992|0.500000|
|8.916284|5.655654|4.969609|5.629720|8.932323|17.715052|4.052980|3.774923|5.157976|4.052977|7.809160|3.454926|3.143336|0.093499|3.230846|5.051391|3.466030|2.341996|2.001888|1.831693|1.948099|2.272903|1.724508|2.876499|2.355136|2.222201|0.046312|1.540138|1.409977|1.313405|1.370601|1.490198|3.505232|2.812907|2.478162|2.543491|3.020864|3.693950|0.214565|0.124163|0.107782|0.217823|0.500000|
|4.030648|4.851606|7.449768|9.043446|5.655257|4.235512|17.606115|9.004312|9.453205|4.739422|7.273509|3.906506|4.485492|0.123604|6.612075|13.006993|4.901475|3.429800|2.706815|2.540386|2.679282|3.362466|2.564890|4.176159|3.725463|2.869726|0.057321|1.933544|1.689475|1.592625|1.692479|1.938611|9.036801|7.495460|4.856075|4.024948|4.219989|5.625142|0.091587|0.115294|0.228239|0.141007|0.097200|0.500000|
|3.602708|3.608398|4.467029|6.542669|6.503772|4.459271|8.715640|17.674315|12.652626|7.509437|13.918321|4.758330|4.350769|0.109795|5.726262|8.688140|4.638063|2.915747|2.408420|2.340600|2.644895|3.347116|2.251108|3.593197|3.272094|2.717010|0.055881|1.789854|1.604668|1.530767|1.657879|1.864360|6.896884|4.980680|3.956349|3.825745|4.519065|6.261040|0.084087|0.084235|0.111866|0.229204|0.112039|0.174497|0.500000|
|3.071797|3.274305|4.176754|5.462794|4.646040|3.486309|8.876109|17.612970|12.502408|5.976358|9.371734|4.428872|4.582904|0.111814|6.916536|11.993962|5.103606|3.261084|2.656806|2.637877|2.978090|3.862393|2.617424|4.120509|3.942806|2.985749|0.060327|1.943886|1.716169|1.647254|1.797516|2.063836|7.121595|6.078284|4.497075|3.932373|4.178655|5.346966|0.072875|0.079295|0.114129|0.138817|0.086516|0.220587|0.302984|0.500000|
|3.347560|3.180415|3.361843|3.815490|4.120794|3.803736|3.598808|4.232087|8.225337|8.892544|12.432270|17.623304|8.654810|0.225751|5.839568|7.685702|8.278592|4.486242|3.631858|3.219482|3.734052|4.760969|2.729829|4.315566|3.616020|3.733362|0.081146|2.442890|2.174803|1.973625|2.122553|2.371923|2.840772|2.476141|2.122397|2.030958|2.216669|2.628100|0.084262|0.078295|0.084651|0.118989|0.102967|0.096152|0.114269|0.102166|0.500000|
|2.720752|2.667609|2.919522|3.359009|3.467841|3.068293|3.466150|4.395399|8.637963|8.977093|12.150418|17.584852|8.688388|0.176251|6.279325|8.296473|9.773400|4.670643|3.881576|3.720322|4.803173|6.639632|3.091776|4.709928|4.205751|4.226393|0.092608|2.627014|2.328628|2.155926|2.399070|2.730507|2.806279|2.505447|2.156611|2.045192|2.197958|2.569565|0.068492|0.066548|0.076054|0.103372|0.082633|0.093678|0.118072|0.113026|0.303387|0.500000|
|2.500852|2.745582|3.091086|3.107736|2.765899|2.510534|3.314070|3.485934|5.827356|3.754060|5.410239|4.411708|6.721826|0.180676|6.168844|12.585885|12.220076|17.505005|8.777295|6.719576|5.830832|7.133445|6.534635|9.772155|7.967586|6.033537|0.113428|3.908921|3.004014|2.670143|2.838893|3.571545|2.705919|2.644407|2.236499|1.994838|2.019492|2.304244|0.063209|0.073034|0.090004|0.073782|0.063571|0.105277|0.082841|0.096930|0.107795|0.113614|0.500000|
|2.730623|2.937179|3.159608|3.122091|2.879519|2.709142|3.103111|3.220131|5.530987|3.849201|5.571417|4.875568|7.370757|0.243820|5.448196|9.391163|12.496338|17.609314|8.979763|5.513528|4.939160|5.737965|4.646237|7.522431|5.447454|5.605508|0.112138|3.847782|3.034403|2.589522|2.677431|3.196165|2.509972|2.376806|2.029321|1.852654|1.912299|2.194059|0.069922|0.078429|0.088868|0.075911|0.069099|0.094862|0.078848|0.085248|0.128512|0.120392|0.303290|0.500000|
|2.031599|2.166987|2.307201|2.283020|2.126871|2.015917|2.339391|2.439211|3.907701|2.746089|4.191974|3.290415|4.189318|0.117927|3.569196|6.586320|7.699305|8.891082|17.635586|8.804632|5.525811|4.919860|7.293084|13.202691|6.844460|9.098099|0.160537|6.943518|4.545646|3.634053|3.619956|4.556362|2.008227|1.969683|1.734655|1.584481|1.603281|1.783103|0.053135|0.059075|0.066054|0.057198|0.052494|0.071015|0.061142|0.067454|0.086674|0.089455|0.213726|0.217420|0.500000|
|2.090572|2.170365|2.290077|2.321723|2.225577|2.115877|2.350745|2.527000|4.187982|3.099673|4.709951|3.979683|4.881491|0.133796|3.753448|6.429399|9.783383|8.961142|17.542860|8.845984|6.827686|5.825861|5.545674|8.834939|5.802487|9.822936|0.211968|6.464371|4.691888|3.681357|3.814923|4.624831|1.998842|1.918585|1.690060|1.564862|1.606419|1.798420|0.054786|0.058211|0.063784|0.060723|0.055854|0.069484|0.064367|0.068873|0.106618|0.111428|0.173988|0.219834|0.300227|0.500000|
|1.815103|1.880285|2.063019|2.197336|2.094468|1.904299|2.396787|2.754427|4.406600|3.176832|4.906804|3.725388|4.165639|0.097927|3.800222|6.744155|7.678591|4.964547|5.501912|8.685790|17.585785|8.877359|6.688879|8.522544|9.397886|9.188295|0.183860|4.410143|3.657481|3.622448|4.664571|6.626200|2.105690|2.068655|1.840902|1.692134|1.711285|1.889202|0.046809|0.049460|0.057800|0.059426|0.050491|0.070081|0.070576|0.080449|0.090087|0.116943|0.130852|0.108718|0.123046|0.138964|0.500000|
|1.925236|1.967540|2.120336|2.249044|2.186271|2.020429|2.369139|2.705938|4.496386|3.420061|5.243131|4.375072|4.785661|0.113514|3.869235|6.461406|9.574476|5.761809|6.813140|8.894199|17.540531|8.992169|5.409771|7.559873|6.547191|10.122332|0.252874|4.899108|4.079253|3.722439|4.545051|5.781907|2.044071|1.963085|1.740537|1.618875|1.662386|1.852516|0.049963|0.051695|0.058495|0.061851|0.053978|0.068478|0.070076|0.075954|0.109019|0.140810|0.133469|0.128444|0.139455|0.200024|0.303217|0.500000|
|2.268110|2.320622|2.592408|2.884307|2.784417|2.456040|3.171892|3.937345|7.049572|5.313024|7.587914|6.790750|7.215642|0.144336|6.137259|9.435950|12.458514|5.722721|4.950040|5.476379|8.992547|17.601853|4.408257|6.199065|6.256556|5.671337|0.121141|3.231186|2.758500|2.604529|3.035314|3.701979|2.650134|2.496339|2.157393|1.992506|2.066935|2.358220|0.057369|0.059353|0.070785|0.080654|0.064855|0.090602|0.100035|0.112085|0.143274|0.239463|0.144098|0.127853|0.108582|0.131411|0.216720|0.225089|0.500000|
|2.282914|2.420160|2.771063|3.010980|2.757116|2.411218|3.434518|4.088074|6.979016|4.511289|6.422745|5.166041|6.829399|0.144644|7.027151|13.166976|12.327693|7.084124|5.655073|6.464385|8.739320|17.519598|5.960926|7.862285|9.331558|5.940701|0.116354|3.419906|2.790875|2.639642|3.027662|3.885002|2.858110|2.785288|2.368177|2.122670|2.153138|2.451554|0.057329|0.062556|0.078343|0.077575|0.062213|0.103876|0.097949|0.121621|0.114171|0.149535|0.210543|0.144720|0.126785|0.132328|0.214922|0.174434|0.304077|0.500000|
|1.887861|2.015097|2.268316|2.384381|2.180078|1.952542|2.697153|3.015458|4.631970|3.058480|4.669053|3.345299|4.049701|0.097571|4.191401|8.448333|6.926983|5.147045|5.093258|7.040594|7.396551|7.073786|9.234255|10.829718|26.146163|6.720147|0.120076|3.799897|3.047849|3.012248|3.532221|4.883712|2.382692|2.424976|2.132804|1.901781|1.880225|2.071041|0.048182|0.053327|0.065529|0.060814|0.050730|0.082218|0.074313|0.091433|0.080166|0.096852|0.162819|0.111341|0.125182|0.115206|0.229659|0.144933|0.156311|0.260867|0.500000|
|1.747799|1.887927|2.107778|2.154691|1.952195|1.773639|2.408402|2.565471|3.796030|2.499502|3.894682|2.681042|3.219380|0.082174|3.358091|6.935634|5.236155|4.287828|4.436078|5.624798|4.871493|4.543066|9.542870|13.878082|25.970349|6.019690|0.103334|3.757930|3.000596|2.998823|3.349251|4.516486|2.177146|2.267943|2.024897|1.793856|1.747072|1.896006|0.044946|0.050827|0.062003|0.053689|0.045971|0.074380|0.063511|0.077126|0.066464|0.075546|0.140753|0.098516|0.121218|0.100003|0.142543|0.106725|0.105497|0.150520|0.311907|0.500000|
|1.563030|1.643148|1.734788|1.733830|1.640502|1.562543|1.797864|1.886605|2.891704|2.065061|3.281047|2.370546|2.732495|0.074127|2.474523|4.569390|4.642757|4.047089|5.801159|6.572427|4.415426|3.477519|6.548225|14.625761|6.248575|12.345741|0.182730|17.706896|8.735433|6.743214|5.765265|7.102480|1.609088|1.605127|1.454849|1.340747|1.342278|1.457466|0.041388|0.044993|0.049574|0.044835|0.041368|0.053554|0.048469|0.053261|0.062847|0.067318|0.108082|0.101231|0.186573|0.147274|0.113500|0.115843|0.083242|0.092092|0.108350|0.115455|0.500000|
|1.703790|1.775927|1.855163|1.852815|1.771681|1.702616|1.886045|1.984552|3.112921|2.269387|3.582309|2.695897|3.113676|0.086023|2.674927|4.790223|5.414541|4.796680|7.684509|6.886370|4.736377|3.779841|5.414595|10.297590|5.365519|12.275072|0.222726|17.711955|8.849525|5.498759|4.889614|5.613592|1.661493|1.629377|1.465931|1.359520|1.377154|1.509814|0.045265|0.048516|0.052390|0.048304|0.045217|0.055803|0.051124|0.055027|0.072866|0.076204|0.117338|0.124163|0.244849|0.229442|0.112627|0.133500|0.090313|0.094949|0.099042|0.096682|0.302240|0.500000|
|1.401057|1.446753|1.496957|1.497054|1.446747|1.401500|1.523587|1.596994|2.432775|1.788496|2.904629|2.052006|2.249723|0.061823|2.009311|3.597215|3.655018|2.977620|3.904737|4.036831|3.267980|2.674740|3.638610|7.062202|4.014659|7.593005|0.148273|8.997769|17.574038|8.796536|5.519996|4.913631|1.376175|1.358911|1.245810|1.166179|1.176376|1.270081|0.037612|0.039719|0.042184|0.039712|0.037633|0.044530|0.041833|0.044541|0.056013|0.058722|0.076866|0.078803|0.116292|0.114411|0.085293|0.093984|0.067637|0.069100|0.074909|0.075704|0.212939|0.215330|0.500000|
|1.469139|1.502290|1.557443|1.578150|1.540000|1.486922|1.606454|1.712645|2.647715|1.982481|3.216082|2.323813|2.502462|0.067696|2.179517|3.823209|4.148198|3.236520|4.310795|4.583924|3.904020|3.066639|3.730134|6.680259|4.155162|9.366399|0.217235|8.852984|17.502333|8.822326|6.781137|5.694917|1.440639|1.409046|1.286748|1.209113|1.228193|1.333022|0.039333|0.040831|0.043458|0.042624|0.040133|0.046570|0.045086|0.047627|0.063540|0.067892|0.080747|0.084354|0.118040|0.135099|0.100555|0.119778|0.078569|0.076469|0.079883|0.075949|0.172658|0.216182|0.304162|0.500000|
|1.302846|1.350630|1.417090|1.431425|1.374783|1.313982|1.487344|1.572630|2.360276|1.713898|2.794301|1.924162|2.100358|0.056266|1.940088|3.529623|3.401975|2.698271|3.398220|3.992448|3.323002|2.650821|3.941260|7.604860|4.527336|7.625037|0.137373|6.742738|8.851919|17.535780|8.854605|6.767012|1.360850|1.360886|1.256262|1.171264|1.170640|1.253817|0.034731|0.036895|0.040166|0.038028|0.035223|0.043529|0.041193|0.044662|0.051370|0.055803|0.072431|0.068826|0.097640|0.093047|0.093240|0.091681|0.067539|0.070459|0.083024|0.086508|0.196593|0.138981|0.215300|0.173510|0.500000|
|1.263074|1.294797|1.348430|1.369312|1.331877|1.280295|1.411224|1.501195|2.261325|1.673076|2.753148|1.890386|2.011729|0.053884|1.831593|3.267161|3.225455|2.478039|3.068856|3.491847|3.104270|2.492818|3.206707|5.861225|3.784626|6.618777|0.134927|5.492554|8.833792|17.588824|8.836002|5.507593|1.291218|1.279395|1.183880|1.113454|1.120648|1.200530|0.033824|0.035263|0.037851|0.037032|0.034600|0.040855|0.039723|0.042332|0.051066|0.055390|0.064995|0.064061|0.085350|0.088314|0.086638|0.090208|0.065134|0.064797|0.072181|0.071453|0.138236|0.123530|0.209159|0.215582|0.303388|0.500000|
|1.305582|1.343248|1.421904|1.463933|1.415228|1.337756|1.541247|1.667932|2.504995|1.835694|3.008424|2.055012|2.189252|0.056960|2.033865|3.660726|3.554350|2.652972|3.215039|4.084686|3.831554|2.939328|3.878646|6.647199|4.814033|7.579764|0.147337|4.890605|5.518587|8.787138|17.575102|8.983820|1.414702|1.411439|1.305155|1.220590|1.222105|1.307920|0.034602|0.036262|0.040024|0.039687|0.036019|0.044681|0.044007|0.047853|0.054080|0.061308|0.070999|0.066020|0.085817|0.088379|0.116859|0.107149|0.077274|0.077573|0.092570|0.089326|0.129450|0.107776|0.123265|0.138702|0.215434|0.208722|0.500000|
|1.397645|1.426764|1.502735|1.553080|1.515514|1.437922|1.618711|1.765659|2.704118|2.021556|3.302074|2.325569|2.448630|0.063553|2.197891|3.868388|4.052676|2.962314|3.690130|4.621776|4.483145|3.306945|3.882161|6.445253|4.652943|9.333724|0.215029|5.655812|6.771197|8.811403|17.509772|8.860219|1.467405|1.444460|1.326245|1.245811|1.259782|1.359586|0.037087|0.038364|0.041926|0.042592|0.038876|0.046658|0.046737|0.050060|0.061735|0.070336|0.076283|0.073812|0.095069|0.107071|0.130355|0.136753|0.087645|0.083284|0.091885|0.083667|0.132218|0.127133|0.138649|0.196987|0.173450|0.215394|0.303957|0.500000|
|1.543212|1.598071|1.721326|1.793124|1.716128|1.594094|1.920290|2.123476|3.266093|2.365468|3.776548|2.701383|2.962816|0.074411|2.734306|4.946355|5.111150|3.728906|4.600717|7.159639|7.151912|4.642474|6.340944|9.202536|7.901197|12.273256|0.219490|5.603183|4.898053|5.501593|8.816919|17.679142|1.730153|1.721642|1.564323|1.446797|1.451079|1.573783|0.040374|0.042710|0.048529|0.048261|0.042542|0.056143|0.055165|0.061545|0.068792|0.081919|0.099654|0.087194|0.114084|0.119993|0.250797|0.180596|0.117351|0.120967|0.155614|0.131121|0.145288|0.126036|0.107928|0.127208|0.139354|0.123408|0.214972|0.214584|0.500000|
|1.483520|1.552324|1.664279|1.700896|1.611202|1.509108|1.809723|1.946600|2.951748|2.100879|3.357340|2.368108|2.664192|0.069140|2.493002|4.627458|4.513742|3.580866|4.591435|6.675000|5.190487|3.790116|7.374995|12.747892|8.127070|12.400936|0.182551|7.167607|5.851841|6.846357|8.802894|17.649678|1.639629|1.649313|1.503837|1.383637|1.377182|1.486170|0.038981|0.041985|0.047462|0.044728|0.040071|0.053561|0.050222|0.056228|0.061177|0.069336|0.098673|0.085525|0.125272|0.115248|0.154898|0.129163|0.092780|0.102983|0.139933|0.144626|0.219189|0.145914|0.131018|0.133670|0.200090|0.139644|0.213883|0.173271|0.301401|0.500000|
|2.916384|3.380375|4.440783|4.811035|3.691772|3.011653|7.055575|5.453140|5.684793|3.241152|5.317324|2.783816|3.070014|0.082697|4.048346|8.305051|3.692485|2.644977|2.224907|2.176788|2.271720|2.702815|2.284243|3.773592|3.420096|2.520731|0.049829|1.707649|1.510799|1.453442|1.545881|1.758571|8.911418|17.694083|8.936447|5.652171|4.965686|5.657087|0.069971|0.086101|0.140655|0.098115|0.073042|0.231974|0.126084|0.169561|0.069627|0.071126|0.081982|0.071453|0.059452|0.056901|0.061589|0.057743|0.073320|0.085027|0.074858|0.070775|0.048005|0.048372|0.039977|0.041247|0.040186|0.037435|0.041478|0.042243|0.051096|0.049327|0.500000|
|2.342092|2.599586|3.111707|3.299027|2.812483|2.416441|4.092846|3.550376|3.887073|2.419517|4.169907|2.112725|2.229108|0.060230|2.710393|5.243984|2.765285|1.981467|1.741801|1.730990|1.802090|2.056324|1.816220|3.047243|2.705051|2.071674|0.041110|1.417809|1.280362|1.247660|1.321970|1.474444|5.626185|8.922096|17.714906|8.914110|5.653093|4.958916|0.058117|0.067906|0.093501|0.076864|0.060780|0.115527|0.092517|0.107812|0.054149|0.055455|0.059847|0.053715|0.046943|0.045244|0.049732|0.046542|0.056743|0.063053|0.058461|0.056512|0.039930|0.039824|0.034075|0.034974|0.034628|0.032468|0.035891|0.036157|0.042781|0.041454|0.216130|0.500000|
|2.319564|2.462545|2.822483|3.068235|2.801883|2.447910|3.529114|3.153421|3.461030|2.260082|4.064559|1.944939|1.970056|0.053474|2.315796|4.250579|2.419858|1.704974|1.514386|1.498747|1.576619|1.785653|1.535729|2.578889|2.248047|1.822983|0.036626|1.251531|1.145994|1.116805|1.181337|1.297578|4.922202|5.643606|8.909584|17.720437|8.904478|5.639872|0.058197|0.063640|0.079903|0.078501|0.063049|0.091466|0.088728|0.090854|0.050756|0.051254|0.050138|0.046697|0.040618|0.040064|0.043464|0.041507|0.050250|0.053282|0.048599|0.046248|0.034905|0.035239|0.030552|0.031586|0.030802|0.029316|0.032099|0.032619|0.037639|0.036108|0.124242|0.214537|0.500000|
|2.844638|2.883523|3.257621|3.752224|3.665842|3.154328|4.063819|3.643295|3.922704|2.635429|4.933057|2.191140|2.144461|0.058488|2.496087|4.381054|2.561028|1.768351|1.556277|1.521369|1.620490|1.858090|1.522196|2.540386|2.197455|1.850418|0.037597|1.267454|1.163740|1.125394|1.191075|1.302781|5.632599|4.967495|5.655381|8.912532|17.717231|8.936043|0.070524|0.071898|0.086456|0.106067|0.082238|0.096795|0.110133|0.097988|0.057876|0.057089|0.051039|0.048942|0.041349|0.041700|0.044212|0.043227|0.053068|0.054394|0.047769|0.044430|0.034963|0.035950|0.030974|0.032377|0.030772|0.029617|0.032158|0.033199|0.037808|0.035840|0.107740|0.124173|0.214642|0.500000|
|4.122305|4.090056|4.896509|6.668189|6.815685|5.025725|6.874910|5.773183|5.773863|3.810229|7.232703|2.962865|2.852710|0.078196|3.412168|5.737148|3.237460|2.189094|1.869719|1.795374|1.933192|2.289147|1.765240|2.914256|2.528892|2.146766|0.043858|1.460252|1.327262|1.268142|1.345443|1.484612|8.890773|5.655177|4.960362|5.652960|8.960813|17.730287|0.095711|0.094768|0.119539|0.204917|0.124279|0.140482|0.185673|0.136800|0.077955|0.074479|0.062718|0.061142|0.049090|0.050221|0.051835|0.051660|0.065710|0.066558|0.055456|0.050373|0.039966|0.041819|0.035174|0.037121|0.034443|0.033209|0.035951|0.037676|0.043126|0.040522|0.124094|0.107647|0.124348|0.216953|0.500000|
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