Version2.1
2021-01-13T02:59:58Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
27-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc2nnc3n2c4ccccc4c(=O)n3CCC(C)C C10058560
RHF
6-31G(d)
(6D,7F)
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc2nnc3n2c4ccccc4c(=O)n3CCC(C)C
C01[X(C24H39N5O2S1)]
207
C1
562
CC(CCn1c2nnc(n2c2c(c1=O)cccc2)S[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C)C
CC(CCn1c2nnc(n2c2c(c1=O)cccc2)S[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C)C
CC(C)CCN1C(=O)C2CCCCC2n3c(S[C@H](C)C(=O)N[C@@H]4CCCC[C@@H]4C)nnc13
InChIKey=IZHVQFZQSCIXJV-XDPIZLSQSA-N
InChI=1S/C24H39N5O2S/c1-15(2)13-14-28-22(31)18-10-6-8-12-20(18)29-23(28)26-27-24(29)32-17(4)21(30)25-19-11-7-5-9-16(19)3/h15-20H,5-14H2,1-4H3,(H,25,30)/t16-,17+,18?,19+,20?/m0/s1
InChI=1/C24H39N5O2S/c1-15(2)13-14-28-22(31)18-10-6-8-12-20(18)29-23(28)26-27-24(29)32-17(4)21(30)25-19-11-7-5-9-16(19)3/h15-20H,5-14H2,1-4H3,(H,25,30)/t16-,17+,18?,19+,20?/m0/s1/f/h25H
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc2nnc3n2c4ccccc4c(=O)n3CCC(C)C
C01[X(C24H39N5O2S1)]
207
C01
562
CC(CCn1c2nnc(n2c2c(c1=O)cccc2)S[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C)C
CC(CCN1C(=O)[C@@H]2CCCC[C@H]2N2[C]1[N][N]=C2S[C@@H]([C]([NH][C@@H]1CCCC[C@@H]1C)=O)C)C
CC(C)CCN1[C]2[N]N=C(S[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)N2[C@@H]4CCCC[C@H]4C1=O
InChIKey=IZHVQFZQSCIXJV-OMQSBVIBSA-N
InChI=1S/C24H39N5O2S/c1-15(2)13-14-28-22(31)18-10-6-8-12-20(18)29-23(28)26-27-24(29)32-17(4)21(30)25-19-11-7-5-9-16(19)3/h15-20H,5-14H2,1-4H3,(H,25,30)/t16-,17+,18+,19+,20+/m0/s1
InChI=1/C24H39N5O2S/c1-15(2)13-14-28-22(31)18-10-6-8-12-20(18)29-23(28)26-27-24(29)32-17(4)21(30)25-19-11-7-5-9-16(19)3/h15-20H,5-14H2,1-4H3,(H,25,30)/t16-,17+,18+,19+,20+/m0/s1/f/h25H
3540.7850339537
-1751.0817695
1-A
22724.2267
125
437
562
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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12.73156
-1.2090 -0.2491 1.8094
2.1903
|XX|YY|ZZ|XY|XZ|YZ|
-205.9177 -201.7025 -203.3694 20.7818 -1.8874 0.3641
|XX|YY|ZZ|XY|XZ|YZ|
-2.2545 1.9607 0.2938 20.7818 -1.8874 0.3641
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-237.1391 16.3756 2.1007 75.0525 -64.0665 -9.1972 -0.7971 19.2152 10.5095 1.5070
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22636.3887 -6717.5387 -2027.1920 208.2820 -231.0287 149.0736 65.0219 26.7427 -7.1520 -4783.4442 -3996.4354 -1479.0292 46.6606 -1.8415 9.8828
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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 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
5.7248 12.9660 22.4851 23.2104 33.1042 34.6688 38.9220 50.5638 63.6343 75.7756 89.6297 92.7730 111.5497 121.1565 136.5957 160.1552 175.8467 187.3465 201.8066 211.6948 238.7480 241.0286 242.8526 247.3433 265.5858 268.2365 269.0956 285.3215 290.9078 326.1226 328.8614 333.9805 340.7969 351.2772 376.7717 389.6184 396.6441 413.8827 423.7819 434.6002 440.1093 441.3260 471.8810 483.7186 486.4738 496.3386 511.5856 534.8593 544.6787 560.5819 593.1436 596.1214 682.4640 706.3250 717.6184 740.7904 751.7939 788.2897 806.4234 819.4646 834.1171 845.0135 861.6145 866.2493 890.2554 891.0715 898.6971 905.6355 930.6493 939.2341 968.0513 978.7287 990.1501 1004.5741 1010.9442 1014.8343 1030.8462 1034.9458 1045.3220 1046.3072 1061.2391 1070.0743 1081.1575 1082.1158 1087.0678 1105.5918 1125.1038 1127.6621 1142.9610 1151.7985 1160.5791 1172.1683 1183.2080 1188.2690 1200.4307 1200.8268 1207.6545 1212.6234 1229.1162 1246.4989 1252.5647 1264.9078 1271.1228 1291.9393 1300.5653 1306.8989 1323.0510 1346.6518 1353.0190 1353.4724 1376.3434 1385.8069 1386.9204 1399.7098 1400.0984 1424.7957 1430.1365 1435.7093 1444.7102 1455.3394 1461.5374 1466.1491 1470.7469 1480.6100 1494.6851 1500.9825 1505.0070 1509.9771 1510.8976 1515.8288 1523.8198 1524.3579 1528.7627 1529.2599 1537.5549 1541.3653 1544.7134 1550.0293 1557.4583 1559.6592 1568.7160 1569.6855 1572.3453 1578.4238 1626.7505 1631.4718 1633.3590 1634.8311 1636.5471 1637.5551 1637.9343 1638.7057 1640.5584 1641.5240 1643.0048 1643.2816 1644.7158 1645.9339 1647.4481 1650.9216 1654.7752 1657.4273 1658.0467 1699.7517 1712.6609 1805.6462 1939.5267 1966.8703 3167.7902 3179.0894 3179.9855 3183.3346 3188.1647 3192.0049 3192.2885 3192.8525 3196.0276 3197.8540 3198.9526 3201.0274 3204.1590 3206.6921 3214.1172 3216.7474 3224.6256 3228.9202 3234.2569 3239.8930 3242.3859 3247.4821 3251.8076 3253.6938 3261.1632 3261.6994 3263.2541 3264.4992 3268.0319 3268.6982 3288.6744 3290.5414 3294.9459 3298.2638 3303.9616 3317.4858 3329.9364 3359.2293 3901.3078
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0.00822 0.00278 0.00232
0.17123 0.05786 0.04844
8.24 18.66 32.35 33.39 47.63 49.88 56.00 72.75 91.56 109.02 128.96 133.48 160.50 174.32 196.53 230.43 253.00 269.55 290.35 304.58 343.51 346.79 349.41 355.87 382.12 385.93 387.17 410.51 418.55 469.22 473.16 480.52 490.33 505.41 542.09 560.57 570.68 595.48 609.73 625.29 633.22 634.97 678.93 695.96 699.93 714.12 736.06 769.54 783.67 806.55 853.40 857.69 981.91 1016.24 1032.49 1065.83 1081.66 1134.17 1160.26 1179.03 1200.11 1215.79 1239.67 1246.34 1280.88 1282.05 1293.02 1303.01 1339.00 1351.35 1392.81 1408.17 1424.61 1445.36 1454.52 1460.12 1483.16 1489.06 1503.99 1505.40 1526.89 1539.60 1555.54 1556.92 1564.05 1590.70 1618.77 1622.45 1644.47 1657.18 1669.81 1686.49 1702.37 1709.65 1727.15 1727.72 1737.55 1744.69 1768.42 1793.43 1802.16 1819.92 1828.86 1858.81 1871.22 1880.34 1903.58 1937.53 1946.69 1947.34 1980.25 1993.87 1995.47 2013.87 2014.43 2049.96 2057.65 2065.67 2078.62 2093.91 2102.83 2109.46 2116.08 2130.27 2150.52 2159.58 2165.37 2172.52 2173.84 2180.94 2192.44 2193.21 2199.55 2200.26 2212.20 2217.68 2222.50 2230.15 2240.84 2244.00 2257.03 2258.43 2262.25 2271.00 2340.53 2347.32 2350.04 2352.16 2354.63 2356.08 2356.62 2357.73 2360.40 2361.79 2363.92 2364.32 2366.38 2368.13 2370.31 2375.31 2380.85 2384.67 2385.56 2445.56 2464.14 2597.92 2790.55 2829.89 4557.74 4574.00 4575.29 4580.11 4587.06 4592.58 4592.99 4593.80 4598.37 4601.00 4602.58 4605.56 4610.07 4613.71 4624.40 4628.18 4639.52 4645.70 4653.37 4661.48 4665.07 4672.40 4678.63 4681.34 4692.09 4692.86 4695.09 4696.89 4701.97 4702.93 4731.67 4734.36 4740.69 4745.47 4753.66 4773.12 4791.04 4833.18 5613.11
0.668993
0.699966
0.700910
0.601392
-1750.412777
-1750.381803
-1750.380859
-1750.480377
3.337850D-04
MUNgauss
RevisionA2.0
retrievium
13-Jan-2021
DUDE C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc2nnc3n2c4ccccc4c(=O)n3CCC(C)C C10058560
RHF
6-31G(d)
(6D,10F)
C1
461.282448
|X|Y|Z|
70.253638 127.690074 38.521608
70.174090
23
|36.858105|
|12.453622|36.858105|
|8.956603|17.494847|0.500000|
|7.486858|12.395849|0.248882|36.858105|
|4.874443|7.485362|0.192552|12.436720|36.858105|
|4.321161|6.414714|0.161128|7.521997|12.442874|36.858105|
|4.873096|7.521856|0.194774|6.453679|7.538259|12.445743|36.858105|
|7.445401|12.370529|0.251286|7.480495|6.399739|7.479001|12.410011|36.858105|
|6.846833|8.871899|0.221480|5.494873|4.850386|5.498950|8.897090|17.626889|0.500000|
|6.418916|7.695532|0.157178|6.153752|5.170738|6.160013|7.694383|13.043498|0.259547|53.358707|
|4.781286|5.153698|0.118118|4.290244|3.867345|4.666212|5.831783|7.737566|0.207619|19.263948|36.858105|
|4.200379|4.533411|0.111122|3.679689|3.441571|4.165318|5.538172|6.777180|0.214688|11.528308|15.840644|73.516695|
|3.899541|3.945125|0.092064|3.585808|3.240818|3.752436|4.160994|4.994026|0.131507|10.688526|12.495497|14.240345|36.858105|
|3.928611|3.993724|0.091558|3.847383|3.441811|3.916957|4.063811|4.791153|0.119275|10.289808|8.795577|10.439342|17.664646|0.500000|
|3.729235|3.478480|0.082984|3.098837|2.732935|2.999943|3.333837|4.085028|0.113902|7.661518|7.604876|11.105728|12.453635|0.245970|36.858105|
|2.910304|3.053558|0.074934|2.866320|2.771743|3.309158|3.599791|3.824509|0.103055|6.882616|7.089567|11.366821|10.395379|0.222393|6.806220|388.023441|
|2.552269|2.627360|0.064619|2.583234|2.494005|2.865858|2.921622|3.072897|0.080922|5.357320|4.728433|7.346645|6.953527|0.198924|5.535265|76.774746|36.858105|
|2.645535|2.666906|0.064848|2.671814|2.521095|2.808465|2.798513|3.012537|0.078184|5.302999|4.414645|6.598884|6.597620|0.219155|5.635631|50.088077|14.913177|53.358707|
|2.258517|2.274639|0.056258|2.317658|2.218357|2.429330|2.376908|2.502362|0.065263|4.186991|3.357203|5.228310|4.472778|0.141822|4.098047|35.028867|8.857481|18.901040|53.358707|
|2.056657|2.099092|0.052610|2.123623|2.074894|2.305444|2.271317|2.337986|0.061611|3.827643|3.118526|5.021383|3.997446|0.119410|3.623046|35.088605|8.914732|12.223096|20.302802|36.858105|
|2.159885|2.231413|0.055973|2.217536|2.183730|2.489090|2.505214|2.560107|0.068001|4.228901|3.591469|5.874205|4.656042|0.131793|4.035862|48.510450|13.820483|11.891369|11.831970|13.994242|53.358707|
|1.936173|2.023397|0.051625|2.003951|2.013994|2.312608|2.339638|2.327149|0.062525|3.702646|3.122560|5.339352|3.731465|0.102065|3.277721|39.044283|7.228934|7.149986|7.278997|7.735886|17.660176|36.858105|
|1.952788|2.046089|0.052654|1.980453|1.993974|2.313675|2.416983|2.397188|0.065772|3.763764|3.274119|5.871510|3.769179|0.097381|3.344259|41.760502|5.971638|5.886960|5.514257|5.053373|10.278244|12.458007|36.858105|
|1.717264|1.805768|0.047172|1.754985|1.789221|2.060014|2.141102|2.086371|0.057566|3.165970|2.670874|4.872858|2.925986|0.076594|2.655540|28.939161|4.067354|4.414053|4.302420|3.846112|6.728066|7.563314|12.427133|36.858105|
|1.549648|1.609428|0.042130|1.574651|1.594281|1.798553|1.848981|1.820999|0.050190|2.751177|2.280232|4.107015|2.523890|0.067206|2.365683|23.499270|3.527055|4.020866|4.109339|3.723989|6.011388|6.428967|7.500567|12.467185|36.858105|
|1.541918|1.598654|0.041603|1.586546|1.604277|1.797670|1.813517|1.790073|0.048715|2.728022|2.228369|3.913637|2.514689|0.068743|2.344654|23.002577|3.745454|4.367761|4.710419|4.495599|6.845893|7.514028|6.432250|7.560968|12.465207|36.858105|
|1.705807|1.758269|0.045220|1.746923|1.746402|1.958398|1.972178|1.975289|0.053408|3.083899|2.545710|4.381078|2.994305|0.082626|2.781826|28.114931|5.081528|5.784026|6.468887|6.909930|10.763473|12.400973|7.575117|6.498721|7.568436|12.447519|36.858105|
|1.651846|1.695459|0.043495|1.711872|1.707134|1.886313|1.862504|1.870376|0.050039|2.917776|2.346537|3.957153|2.767788|0.079047|2.584867|24.269130|4.596414|5.777327|7.218826|7.945098|9.195944|7.492947|4.906700|4.361665|4.918841|7.553778|12.516013|36.858105|
|1.502535|1.541168|0.039815|1.562464|1.564688|1.713182|1.683692|1.682254|0.045085|2.583135|2.049062|3.478711|2.360830|0.067428|2.227764|20.029467|3.574267|4.620746|5.632951|5.453318|6.469564|5.302067|3.931481|3.774807|4.452424|6.855259|7.978023|15.929750|73.516695|
|1.796123|1.834188|0.046561|1.867192|1.843031|2.025500|1.981443|2.013207|0.053317|3.196972|2.553497|4.200585|3.102302|0.091352|2.882928|26.404071|5.490349|7.472978|10.953164|13.800793|10.824298|6.688450|4.426238|3.693449|3.843450|5.072300|7.776110|13.902339|15.093247|53.358707|
|1.704422|1.729134|0.043971|1.783794|1.754365|1.890341|1.823960|1.858123|0.048976|2.918177|2.270456|3.712426|2.707932|0.081252|2.558062|21.533610|4.186303|6.196867|9.099487|7.775231|6.987862|4.438492|3.303253|2.891059|3.024306|3.826738|4.981125|7.738020|12.308815|17.643543|36.858105|
|1.691658|1.738415|0.044276|1.826913|1.821658|1.958467|1.849150|1.855230|0.048372|2.884691|2.195132|3.571288|2.554296|0.077815|2.350531|19.988306|3.722776|5.485124|7.376530|5.862597|5.921281|3.907397|2.975709|2.663859|2.719665|3.376035|4.086197|5.726914|9.800263|10.437303|12.472408|36.858105|
|1.589964|1.621647|0.041474|1.718377|1.705732|1.796318|1.685561|1.697961|0.044267|2.605457|1.949238|3.174653|2.229169|0.068005|2.089331|16.763492|2.974726|4.466347|5.672970|4.154956|4.467395|2.977964|2.405108|2.194368|2.246733|2.692433|3.110210|4.039641|7.275554|6.710280|7.417799|12.400563|36.858105|
|1.420365|1.441391|0.037173|1.512499|1.501616|1.575994|1.495082|1.506104|0.039657|2.284324|1.718649|2.839221|1.944354|0.058157|1.855219|14.697622|2.541028|3.720389|4.590966|3.467359|3.854565|2.663277|2.197691|2.054422|2.158713|2.595325|2.901340|3.768526|7.276582|5.772928|6.104690|7.458403|12.427298|36.858105|
|1.570742|1.619017|0.041557|1.742028|1.751718|1.833588|1.690886|1.682018|0.043546|2.548894|1.874576|3.051693|2.096611|0.064200|1.937492|15.586033|2.667540|3.950112|4.716447|3.424410|3.903294|2.653901|2.194492|2.027660|2.041899|2.395523|2.681813|3.294116|5.919788|5.198133|4.887762|7.578132|12.437318|7.571611|36.858105|
|17.546096|8.803834|0.216904|6.805940|4.525284|3.796353|4.062546|5.453434|0.141713|6.486838|3.764652|6.030538|3.227998|0.091550|3.141869|17.848635|2.260846|3.211329|2.801485|1.877541|2.651210|1.757782|1.762934|1.567627|1.427855|1.425637|1.567838|1.530159|2.493763|2.260264|1.593264|1.588944|1.510355|1.355268|1.500291|0.500000|
|17.546847|8.771135|0.212432|5.456713|4.044648|3.803768|4.540113|6.891435|0.207436|8.049046|4.824449|7.965019|3.856051|0.103208|3.838062|20.638300|2.492945|3.465262|2.955472|1.995983|2.879687|1.910160|1.955577|1.722993|1.552864|1.530533|1.687031|1.618148|2.616414|2.375916|1.645281|1.617060|1.514564|1.363539|1.485830|0.301490|0.500000|
|17.555630|8.735371|0.173597|6.779570|4.488439|4.101109|4.435788|6.581053|0.162903|9.443483|5.171537|7.616141|4.457885|0.128713|4.328221|22.456210|2.817816|4.071853|3.430047|2.251485|3.191427|2.061433|2.054627|1.784611|1.615693|1.619800|1.813826|1.766722|2.841265|2.646940|1.849371|1.827033|1.715800|1.522513|1.684417|0.302123|0.301954|0.500000|
|6.936774|8.841685|0.215892|17.532678|8.817958|5.487116|4.849257|5.476043|0.123777|6.370814|3.521522|5.514841|3.056916|0.090802|2.747139|17.700319|2.291689|3.253844|2.876609|1.936119|2.717946|1.812885|1.786529|1.598319|1.449502|1.463644|1.603689|1.582385|2.587315|2.344933|1.664462|1.707083|1.626723|1.440479|1.655419|0.206817|0.141110|0.171222|0.500000|
|6.826700|8.781080|0.174144|17.470013|8.835145|6.715255|5.610927|6.662374|0.137563|9.073067|4.580422|6.650425|4.016243|0.125734|3.412685|22.142074|2.871567|4.140424|3.556648|2.349353|3.305741|2.152302|2.093674|1.832732|1.648414|1.676850|1.869298|1.846978|2.980119|2.781184|1.959112|2.010616|1.888917|1.643567|1.911388|0.168076|0.139802|0.202222|0.305027|0.500000|
|4.516894|6.738996|0.204394|8.864013|17.499573|8.858725|6.785958|5.627665|0.127580|5.895956|3.397944|5.598702|2.838932|0.081772|2.457431|17.618724|2.219827|3.028400|2.693370|1.869419|2.681765|1.842143|1.843076|1.675223|1.497102|1.496392|1.611982|1.570021|2.574707|2.283963|1.599051|1.654973|1.557002|1.385226|1.598925|0.120812|0.107670|0.110671|0.215927|0.173809|0.500000|
|4.054915|5.470099|0.141283|8.820070|17.535681|8.805314|5.489191|4.809606|0.106699|5.835121|3.358765|5.303334|2.958845|0.089072|2.514066|18.380096|2.403519|3.344508|2.995562|2.054957|2.901810|1.966956|1.918544|1.730637|1.554396|1.579526|1.717768|1.699476|2.783495|2.506363|1.772589|1.866155|1.762362|1.544086|1.834396|0.108276|0.094530|0.108080|0.211467|0.215738|0.303501|0.500000|
|3.505208|4.821365|0.129610|5.485733|8.816402|17.539965|8.834198|5.471317|0.123777|6.378430|3.881803|6.430282|3.236528|0.092893|2.632983|21.466196|2.648555|3.488981|3.080531|2.184839|3.213534|2.242636|2.249798|2.040013|1.778836|1.774589|1.906932|1.835173|2.984331|2.651606|1.819262|1.900884|1.744371|1.537844|1.796074|0.088218|0.088248|0.092468|0.123219|0.138378|0.215339|0.211142|0.500000|
|4.111579|5.619936|0.133078|6.740103|8.838795|17.503695|8.835266|6.712651|0.138433|9.159730|5.114689|7.679081|4.291109|0.129670|3.284882|26.831981|3.316877|4.450914|3.799817|2.625917|3.859023|2.587873|2.540547|2.223614|1.935125|1.955393|2.159889|2.091387|3.347063|3.095922|2.114561|2.203928|2.001187|1.731683|2.042252|0.099503|0.100196|0.114669|0.138592|0.196176|0.173743|0.214700|0.304249|0.500000|
|4.536234|6.812627|0.208894|5.694435|6.807273|8.856905|17.502356|8.895827|0.220069|7.651120|4.599862|8.246458|3.435551|0.092459|2.894615|21.693583|2.521285|3.292410|2.850966|2.016173|3.006087|2.093715|2.179144|1.968260|1.712480|1.669889|1.792971|1.693821|2.747025|2.429877|1.653469|1.675996|1.540612|1.379582|1.549769|0.109246|0.120787|0.109985|0.127766|0.130764|0.200446|0.139530|0.214977|0.173633|0.500000|
|4.054725|5.496614|0.142965|4.836202|5.484286|8.782549|17.567832|8.864976|0.213825|9.723788|6.324446|11.422944|4.441702|0.116451|3.457130|29.090643|3.174066|4.003461|3.377738|2.411663|3.707786|2.579629|2.718177|2.397985|2.030209|1.970205|2.136784|1.986047|3.173263|2.850510|1.897997|1.914751|1.722921|1.530395|1.718440|0.094852|0.109124|0.106436|0.106712|0.125550|0.139322|0.122945|0.211256|0.213649|0.303278|0.500000|
|6.244229|7.169017|0.143558|6.768019|5.417475|6.087765|6.367086|8.953943|0.181862|26.108653|9.456035|10.887318|7.563943|0.242770|5.443010|34.275703|4.075096|5.764419|4.531290|2.963295|4.344733|2.734795|2.694991|2.262103|1.989116|2.005695|2.289244|2.206845|3.470936|3.349048|2.273460|2.267170|2.056406|1.781327|2.019114|0.133567|0.148335|0.205360|0.141357|0.235139|0.120397|0.129674|0.127732|0.200690|0.133660|0.160308|0.500000|
|3.468991|3.253304|0.079707|2.832113|2.539424|2.803800|3.204395|3.874851|0.113413|6.785348|6.971767|11.981395|8.816445|0.173611|17.605623|45.230474|4.813842|6.229621|4.800888|3.265606|5.062382|3.162948|3.378813|2.710006|2.399333|2.321196|2.705097|2.457393|3.790541|3.628088|2.348826|2.152152|1.915592|1.725762|1.779319|0.081719|0.102883|0.107134|0.070248|0.084040|0.064618|0.064479|0.069316|0.083295|0.078836|0.093870|0.126678|0.500000|
|3.183313|2.979744|0.072082|2.753018|2.460868|2.673259|2.874323|3.380280|0.092913|6.056301|5.527100|8.410361|8.836497|0.214178|17.617087|45.137971|6.154441|9.115967|6.565698|4.136113|6.094556|3.493695|3.455470|2.714688|2.468983|2.486572|3.022052|2.838398|4.305697|4.392480|2.853466|2.553052|2.257990|2.004049|2.054333|0.076875|0.089547|0.102308|0.068915|0.084835|0.061606|0.064144|0.066236|0.081878|0.070133|0.082719|0.125157|0.299365|0.500000|
|4.376250|3.831356|0.089953|3.355986|2.845385|3.021610|3.348796|4.294121|0.119454|7.950128|6.921799|9.939857|8.843265|0.212347|17.534623|36.061196|4.396897|6.407752|4.912221|3.147380|4.589623|2.796601|2.818458|2.311714|2.087048|2.080386|2.428618|2.304836|3.589918|3.503080|2.350075|2.190139|1.986793|1.766632|1.859940|0.101208|0.125649|0.147955|0.083417|0.103289|0.071073|0.072359|0.072704|0.090689|0.081408|0.093069|0.160678|0.300413|0.301233|0.500000|
|1.961541|2.021710|0.051994|1.933310|1.916454|2.195224|2.323970|2.358621|0.065520|3.719988|3.289217|5.958399|3.859576|0.097419|3.600744|41.816487|5.872729|5.900716|5.460425|4.857675|9.470494|8.867768|17.536208|8.804988|6.730163|5.645202|6.838438|4.566543|6.559809|5.723767|3.184493|2.789935|2.294005|2.116405|2.070934|0.049144|0.055070|0.057551|0.048652|0.056754|0.049360|0.050968|0.058691|0.066421|0.058468|0.071928|0.073610|0.103486|0.105173|0.083001|0.500000|
|1.700817|1.787321|0.047016|1.716900|1.749713|2.014498|2.128603|2.073776|0.057971|3.106463|2.637031|4.935625|2.818600|0.072496|2.591356|27.311244|3.601380|3.971582|3.794223|3.263014|5.572918|5.519750|8.880415|17.557798|8.808454|5.498909|4.870979|3.533628|5.576037|4.217202|2.507155|2.323182|1.957595|1.842968|1.823617|0.043105|0.047807|0.048740|0.043482|0.049361|0.045857|0.046681|0.055494|0.059619|0.054849|0.066564|0.060840|0.075027|0.072544|0.062860|0.214874|0.500000|
|1.537808|1.580764|0.041380|1.535003|1.538827|1.723185|1.786751|1.783294|0.049511|2.698935|2.252752|4.078702|2.510170|0.066210|2.414459|23.063795|3.440316|3.960601|4.029758|3.591096|5.725842|5.625077|6.740441|8.853419|17.503232|8.851397|6.802272|4.560160|7.331732|4.984548|2.912731|2.559710|2.144392|2.075751|1.931645|0.039368|0.043054|0.044620|0.039363|0.044620|0.040217|0.041527|0.047011|0.051279|0.046085|0.054235|0.054053|0.068798|0.070611|0.058997|0.197134|0.214779|0.500000|
|1.437293|1.479652|0.038618|1.470559|1.480952|1.640053|1.651132|1.638494|0.044677|2.481540|2.008885|3.525169|2.258905|0.062030|2.147173|19.912646|3.239752|3.920754|4.303984|3.993369|5.700033|5.499794|4.835288|5.497431|8.789812|17.617170|8.888433|7.045370|13.215427|6.404872|3.748759|3.258307|2.657803|2.643453|2.340366|0.037129|0.039659|0.041939|0.037945|0.043128|0.038511|0.040621|0.044952|0.049281|0.042488|0.049371|0.050833|0.059083|0.063622|0.053486|0.126595|0.123089|0.214316|0.500000|
|1.780998|1.785593|0.045163|1.841148|1.785479|1.905411|1.842261|1.904583|0.050156|3.015877|2.339383|3.786814|2.832589|0.086020|2.728448|21.731842|4.261414|6.752149|10.485665|7.483454|6.644739|3.985602|3.083588|2.656565|2.737062|3.314798|4.284495|5.850729|9.181342|12.558578|17.643758|8.818099|6.825217|5.529880|4.572555|0.046280|0.047675|0.054186|0.047856|0.056581|0.045078|0.050047|0.050437|0.059231|0.046308|0.052839|0.065802|0.068666|0.086116|0.070120|0.084565|0.065141|0.074660|0.090127|0.500000|
|1.562786|1.580299|0.040484|1.621831|1.597559|1.713500|1.663267|1.691675|0.044927|2.622936|2.042298|3.384789|2.396259|0.070652|2.302020|19.035793|3.528552|5.069201|6.843970|5.835836|5.853057|3.971546|3.061010|2.769774|3.001009|3.848077|4.772969|7.543694|14.194705|12.636358|17.691311|8.789883|6.607078|6.642489|4.426679|0.040775|0.042133|0.046808|0.042284|0.049033|0.040783|0.044781|0.046044|0.052636|0.042246|0.048070|0.056244|0.059620|0.071015|0.059030|0.082862|0.067072|0.081022|0.109738|0.301589|0.500000|
|1.600537|1.657942|0.042522|1.737976|1.754422|1.899443|1.795019|1.778037|0.046522|2.733495|2.085475|3.434957|2.385161|0.071522|2.181851|19.070668|3.443104|4.830211|6.115839|5.158922|5.615690|3.980407|3.025031|2.788724|2.882507|3.669553|4.259488|6.052516|11.162014|9.453725|8.889300|17.519039|8.820693|6.842013|6.838796|0.041785|0.042646|0.047578|0.045087|0.052606|0.044534|0.049914|0.051784|0.059038|0.045411|0.051964|0.059057|0.056230|0.065022|0.056308|0.077365|0.066922|0.073921|0.098633|0.173779|0.214276|0.500000|
|1.849834|1.915554|0.048419|2.032000|2.030726|2.196934|2.050211|2.052017|0.052943|3.225908|2.437875|3.909012|2.856926|0.088948|2.563103|22.231823|4.221725|6.353989|8.514583|6.416922|6.507846|4.115268|3.116685|2.726991|2.693041|3.261974|3.996325|5.196566|8.320018|9.731031|8.932169|17.540439|8.872713|5.479480|7.143395|0.048031|0.048758|0.055751|0.052348|0.062760|0.050715|0.058006|0.058977|0.069754|0.051110|0.058930|0.071256|0.064336|0.076831|0.066272|0.080285|0.066148|0.070060|0.084969|0.211057|0.174161|0.302380|0.500000|
|1.657734|1.674175|0.042614|1.776049|1.740375|1.816143|1.706472|1.740189|0.045307|2.686828|2.002079|3.235117|2.310342|0.071175|2.190882|16.954340|3.023505|4.701996|6.033047|4.147895|4.405971|2.845277|2.327367|2.094454|2.128456|2.503955|2.931560|3.702368|6.459329|6.338654|6.920676|8.912403|17.491669|8.907959|8.934180|0.043814|0.043753|0.050085|0.046854|0.054623|0.043998|0.049917|0.048539|0.056246|0.043249|0.048135|0.059356|0.055287|0.066341|0.058317|0.062516|0.052338|0.057130|0.068510|0.208811|0.166462|0.174093|0.213279|0.500000|
|1.362212|1.391231|0.036036|1.457196|1.459389|1.540321|1.462137|1.460250|0.038528|2.201139|1.660103|2.762459|1.861471|0.055221|1.764855|14.278661|2.438315|3.483245|4.217928|3.290304|3.752918|2.676820|2.211080|2.104746|2.232834|2.715381|2.953095|3.844434|7.766555|5.566295|5.477002|6.802752|8.768559|17.526439|6.783889|0.036082|0.036410|0.040314|0.038492|0.043715|0.037530|0.041668|0.042052|0.046876|0.037582|0.041764|0.047379|0.045951|0.052562|0.046503|0.058589|0.052244|0.059032|0.077447|0.130008|0.170328|0.204313|0.140499|0.173466|0.500000|
|1.363084|1.379016|0.035664|1.452266|1.439584|1.496263|1.415719|1.427905|0.037600|2.150207|1.604722|2.653027|1.798446|0.053793|1.726081|13.375052|2.265761|3.330272|4.000684|2.950949|3.359662|2.321473|1.958915|1.840190|1.922412|2.261832|2.491903|3.105436|5.917646|4.694388|4.633044|5.451758|8.783477|17.544223|7.004509|0.036345|0.036294|0.040523|0.038679|0.043753|0.037003|0.041271|0.040580|0.045425|0.036447|0.040014|0.046627|0.044652|0.051535|0.046094|0.052665|0.046353|0.051606|0.064004|0.123828|0.136536|0.140401|0.123208|0.211920|0.301482|0.500000|
|1.410888|1.421971|0.036660|1.478861|1.458215|1.531806|1.467825|1.489319|0.039428|2.266636|1.720200|2.850462|1.961495|0.058274|1.897326|14.870343|2.588957|3.795286|4.743055|3.604325|3.958447|2.722854|2.248687|2.095423|2.231738|2.694518|3.044638|4.012423|7.830261|6.137735|6.700300|6.683716|8.705636|17.561269|5.481998|0.037336|0.037811|0.042092|0.039111|0.044591|0.037429|0.041371|0.041355|0.046627|0.037643|0.041815|0.048904|0.049164|0.057500|0.050017|0.060918|0.052236|0.060336|0.077383|0.172806|0.227888|0.166423|0.137621|0.213353|0.301708|0.302718|0.500000|
|1.700095|1.763175|0.045010|1.920027|1.935798|2.025466|1.842918|1.828913|0.046915|2.784204|2.026754|3.265799|2.265740|0.070402|2.063154|16.656147|2.850455|4.270690|5.018795|3.548596|4.078980|2.725291|2.256300|2.059272|2.034890|2.358286|2.665132|3.194083|5.551896|5.131552|4.592803|6.929822|8.755515|5.489290|17.545080|0.045032|0.044336|0.050804|0.050507|0.059035|0.048657|0.056748|0.054968|0.063339|0.046624|0.051824|0.061906|0.052182|0.060401|0.055178|0.058872|0.051534|0.053358|0.062988|0.122555|0.110728|0.168817|0.216040|0.213612|0.138937|0.142206|0.122337|0.500000|
|1.496411|1.533731|0.039515|1.653340|1.656184|1.711794|1.579365|1.576631|0.040905|2.369324|1.731601|2.826942|1.919987|0.058572|1.795288|14.050502|2.357609|3.499733|4.093347|2.929072|3.395463|2.315945|1.957321|1.820676|1.838254|2.125163|2.349290|2.824067|5.113769|4.374055|4.035395|5.492662|8.766192|6.931867|17.544523|0.039986|0.039305|0.044500|0.044034|0.050226|0.042205|0.048316|0.046572|0.052493|0.040458|0.044296|0.052100|0.045928|0.052756|0.048323|0.051788|0.045952|0.048687|0.058178|0.108941|0.105304|0.139842|0.144095|0.213462|0.168088|0.211449|0.141777|0.301587|0.500000|
|1.497438|1.554603|0.040131|1.667670|1.696033|1.788161|1.650060|1.623831|0.042157|2.441225|1.801426|2.958598|1.994081|0.060387|1.833210|15.072345|2.543533|3.663233|4.298359|3.233938|3.780664|2.653451|2.198224|2.066409|2.090590|2.468757|2.699619|3.307038|6.090737|4.994622|4.488215|6.843404|8.769814|6.835741|17.522756|0.039707|0.039479|0.044273|0.043950|0.050388|0.043220|0.049304|0.049139|0.055085|0.042166|0.046839|0.053258|0.047182|0.053621|0.048669|0.057052|0.051459|0.054378|0.067105|0.111502|0.116518|0.202369|0.175206|0.173677|0.200353|0.172020|0.138995|0.301341|0.301606|0.500000|
|1.911344|2.027453|0.051866|2.035905|2.081677|2.411810|2.395047|2.328830|0.061895|3.663072|3.015619|5.129746|3.488746|0.097500|2.982755|35.060959|6.137415|6.443251|6.609798|6.644083|12.500296|17.516473|8.898870|6.890376|5.717881|6.853328|8.849911|6.784960|9.157944|8.340964|4.317582|4.094977|3.081862|2.720237|2.818536|0.048351|0.051963|0.056208|0.051060|0.060667|0.052783|0.056923|0.065818|0.075485|0.059463|0.073567|0.075589|0.079334|0.086410|0.072133|0.174329|0.141165|0.131667|0.140750|0.105190|0.106444|0.120079|0.122439|0.080174|0.077024|0.065784|0.075528|0.081084|0.067538|0.079639|0.500000|
|2.127537|2.262099|0.058077|2.173257|2.203846|2.615059|2.770206|2.715518|0.074501|4.285540|3.809271|6.931888|4.280354|0.108053|3.613533|51.613155|6.209475|5.971751|5.288203|4.577970|9.206496|8.824266|17.627161|8.897985|5.504397|4.844171|5.508142|4.062647|5.943107|5.279952|3.009159|2.794977|2.289688|2.067887|2.128586|0.052851|0.059218|0.061885|0.053845|0.063588|0.056407|0.058356|0.070571|0.080023|0.068661|0.088611|0.083897|0.101851|0.100091|0.083971|0.302976|0.215403|0.139222|0.106793|0.079228|0.076505|0.078353|0.083151|0.061915|0.057559|0.051660|0.058152|0.061630|0.052893|0.059094|0.215469|0.500000|
|1.697473|1.806575|0.047329|1.772980|1.833336|2.126631|2.183133|2.086167|0.057081|3.135515|2.599382|4.714101|2.794989|0.074259|2.483843|27.097747|3.805299|4.196115|4.109874|3.642263|6.208704|6.817959|8.851785|17.504552|8.859618|6.795019|5.684574|4.146729|6.528138|4.822957|2.825469|2.692017|2.214939|2.062817|2.081023|0.043144|0.047009|0.048783|0.044793|0.051314|0.047693|0.049507|0.059237|0.063865|0.055786|0.068182|0.062445|0.069591|0.069798|0.060801|0.173409|0.303855|0.173806|0.139345|0.071380|0.074803|0.079629|0.077145|0.058133|0.059230|0.051364|0.057672|0.058936|0.051700|0.059575|0.203728|0.217324|0.500000|
|1.442329|1.501535|0.039582|1.471701|1.498795|1.684124|1.727651|1.688633|0.046632|2.514560|2.058949|3.729514|2.233539|0.059669|2.099435|20.155576|2.961408|3.460381|3.536722|3.116149|4.855263|4.835340|5.477907|8.828290|17.549302|8.843600|5.508898|4.081214|6.961095|4.434292|2.674610|2.461109|2.073137|2.016601|1.909022|0.037104|0.040169|0.041516|0.037796|0.042536|0.039343|0.040680|0.046631|0.049928|0.044838|0.052555|0.050425|0.059298|0.060315|0.052126|0.138472|0.210914|0.303486|0.210648|0.067349|0.074611|0.073203|0.067353|0.054322|0.058479|0.050282|0.057601|0.052628|0.048068|0.054762|0.128213|0.123725|0.215468|0.500000|
|1.520679|1.590894|0.041484|1.592848|1.627882|1.830211|1.825581|1.778395|0.048083|2.692044|2.170869|3.797546|2.416425|0.066775|2.213994|21.867966|3.530053|4.160058|4.489869|4.223580|6.317920|6.793535|5.645724|6.780292|8.830116|17.526218|8.861161|6.881291|11.840020|6.551633|3.755781|3.499076|2.773266|2.658689|2.516705|0.039142|0.041708|0.044227|0.040804|0.046714|0.042170|0.044773|0.050631|0.055410|0.046718|0.055122|0.055171|0.060454|0.064498|0.055049|0.130819|0.139099|0.173517|0.304669|0.088860|0.103900|0.109601|0.094342|0.070378|0.078651|0.064252|0.075094|0.068856|0.061545|0.073400|0.202851|0.126943|0.199171|0.214822|0.500000|
|1.706329|1.737305|0.044669|1.709066|1.688687|1.879335|1.914791|1.947175|0.053105|3.048670|2.543294|4.401831|3.026760|0.082312|2.913462|28.028165|5.004151|5.777226|6.372815|6.449914|9.865907|8.963201|7.006626|5.821712|6.931738|8.874895|17.472951|9.093401|11.597926|9.256940|4.620869|3.648530|2.883841|2.727983|2.466001|0.043545|0.047196|0.050548|0.043711|0.050756|0.043414|0.045896|0.050455|0.057203|0.048498|0.057395|0.062588|0.079550|0.089568|0.070155|0.208173|0.130083|0.204475|0.214171|0.116419|0.125674|0.101925|0.098631|0.077324|0.075856|0.065832|0.081107|0.067949|0.060940|0.067962|0.174839|0.142346|0.133512|0.141159|0.173940|0.500000|
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