Version2.1 2021-01-13T21:55:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(sc1)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C3=O)C[C@@H]4CCCO4)[NH+]5CCCC5 C27603895 RHF 6-31G(d) (6D,7F) c1cc(sc1)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C3=O)C[C@@H]4CCCO4)[NH+]5CCCC5 C01[X(C24H28N3O4S1)] 174 C1 540 O=C(c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]1CCCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 O=C(c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]1CCCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 O=C(NC[C@H]([NH+]1CCCC1)c2sccc2)c3ccc4C(=O)N(C[C@@H]5CCCO5)C(=O)c4c3 InChIKey=ZMPJLXAFALZKGP-PXNSSMCTSA-O InChI=1S/C24H27N3O4S/c28-22(25-14-20(21-6-4-12-32-21)26-9-1-2-10-26)16-7-8-18-19(13-16)24(30)27(23(18)29)15-17-5-3-11-31-17/h4,6-8,12-13,17,20H,1-3,5,9-11,14-15H2,(H,25,28)/p+1/t17-,20-/m0/s1 InChI=1/C24H27N3O4S/c28-22(25-14-20(21-6-4-12-32-21)26-9-1-2-10-26)16-7-8-18-19(13-16)24(30)27(23(18)29)15-17-5-3-11-31-17/h4,6-8,12-13,17,20H,1-3,5,9-11,14-15H2,(H,25,28)/p+1/t17-,20-/m0/s1/fC24H28N3O4S/h25-26H/q+1 c1cc(sc1)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C3=O)C[C@@H]4CCCO4)[NH+]5CCCC5 C01[X(C24H28N3O4S1)] 174 C01 540 O=C(c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]1CCCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 O=C([C]1[CH][CH][C]2[C]([CH]1)C(=O)N(C2=O)C[C@@H]1CCCO1)NC[C@@H](C1=[CH][CH]=CS1)[NH]1CCCC1 O=C(NC[C@H]([NH]1CCCC1)c2sccc2)[C]3[CH][CH][C]4[C]([CH]3)C(=O)N(C[C@@H]5CCCO5)C4=O InChIKey=CIHDCTXVVUUNHN-PXNSSMCTSA-N InChI=1S/C24H28N3O4S/c28-22(25-14-20(21-6-4-12-32-21)26-9-1-2-10-26)16-7-8-18-19(13-16)24(30)27(23(18)29)15-17-5-3-11-31-17/h4,6-8,12-13,17,20,26H,1-3,5,9-11,14-15H2,(H,25,28)/t17-,20-/m0/s1 InChI=1/C24H28N3O4S/c28-22(25-14-20(21-6-4-12-32-21)26-9-1-2-10-26)16-7-8-18-19(13-16)24(30)27(23(18)29)15-17-5-3-11-31-17/h4,6-8,12-13,17,20,26H,1-3,5,9-11,14-15H2,(H,25,28)/t17-,20-/m0/s1/f/h25H 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0.3712 0.2532 0.1522 0.2475 0.3679 0.2296 0.4326 0.3786 0.3479 0.4086 0.2141 0.5409 0.3856 0.7224 0.8382 0.9179 0.9941 0.6313 0.6762 0.7948 0.7090 1.0122 1.4889 1.7759 1.1877 1.4997 1.4103 2.3584 2.2258 2.4766 1.9662 0.4779 2.1824 0.9344 2.7059 1.1958 1.1487 1.6336 1.4896 1.1958 1.0164 1.1300 0.9369 1.5859 1.4513 1.5417 0.8752 1.2244 1.2818 1.4734 1.3838 1.4168 0.9678 1.0483 1.6271 1.7773 1.7917 1.8371 1.0726 1.3984 2.1393 1.5126 1.6073 1.7265 1.9099 1.5352 1.8790 1.0265 2.4733 4.2105 2.9315 2.3897 2.1768 2.4613 1.3644 1.5513 1.4537 1.4207 1.6536 2.2064 1.8351 1.3728 2.1925 1.7266 1.6116 2.0361 1.5813 1.9053 1.7095 1.6417 1.9066 1.8199 1.8328 1.7933 1.7743 1.9215 2.1169 1.6930 2.5396 2.0081 4.0444 1.9710 2.1892 5.3412 1.8254 1.7767 5.0525 1.7660 1.7443 1.7570 1.9754 3.8634 1.7880 1.7897 1.8251 1.8498 3.4443 9.9939 14.2339 13.4415 20.7821 30.4269 31.5993 6.5064 6.5280 6.5908 6.6023 6.6600 6.8087 6.7380 6.6858 6.9103 6.9759 6.7903 6.8202 7.0672 7.0648 7.1427 7.1680 7.2258 7.1511 7.4187 7.4140 7.3284 7.4235 7.5057 7.5373 7.5587 7.7322 8.7134 9.6802 0.2452 0.7795 1.8501 2.5739 0.2299 0.1027 1.7320 0.9737 0.5970 1.5386 9.7008 1.9911 5.3044 2.9792 1.9142 2.1028 4.7872 2.5267 6.9879 2.6876 1.5836 5.1595 1.4643 3.0486 8.5076 3.6951 6.9230 0.7848 6.5772 28.7155 12.4269 12.1729 3.2279 77.7987 6.8415 27.8791 12.3998 4.9241 16.2714 13.5646 0.7901 3.8015 2.3534 1.7538 4.9724 25.0320 6.7136 14.2059 1.9042 3.7973 10.6804 3.5825 1.7252 104.8085 73.0825 2.8460 5.4826 3.7191 26.2960 10.4924 20.2749 9.6891 16.4747 14.4066 5.2741 8.6160 4.9282 2.1759 1.7970 12.8765 5.2891 18.7368 5.6619 20.7032 9.8323 6.3985 3.5470 58.6765 17.1393 29.5294 18.1009 2.0995 2.3993 23.8817 22.7644 15.7765 2.2912 33.3368 13.8037 69.9552 4.7044 12.4729 120.7742 14.7414 42.0219 40.1277 20.4393 2.7020 20.7773 22.5373 6.1106 6.9591 19.5554 61.6358 14.3521 105.6104 78.0987 9.4556 111.6092 11.0628 0.2222 0.1467 18.2284 29.1030 22.5316 15.3986 3.0026 51.2242 1.7983 5.8326 25.1990 144.6175 21.0994 444.1007 59.5960 24.9787 105.1306 66.3431 46.2538 36.0398 11.7845 7.8170 5.5486 8.5446 13.9383 4.1093 1.3927 11.2927 1.0836 334.9894 4.6656 3.2892 27.0250 330.3996 808.2957 118.0729 76.2188 19.1968 21.8925 16.5166 12.8220 22.0009 17.6251 19.1953 35.6413 33.6467 4.4373 4.3603 65.9716 4.8815 11.5524 13.8398 9.4459 1.3125 7.2903 2.3111 12.4503 3.7471 1.9145 0.9841 1.6414 2.5943 36.0112 54.0749 0.3610 0.9358 0.7981 1.0452 2.8936 2.2133 0.5216 2.4713 0.6421 0.8970 0.9447 2.0100 0.1578 0.0549 0.9090 0.6008 1.1974 0.3297 1.0756 0.1115 0.4195 1.4843 3.5471 3.6653 1.6052 0.2823 2.5048 1.1570 0.2785 2.5775 1.0009 2.2073 0.4017 1.2542 2.3387 1.8352 0.8914 0.2198 1.4748 1.4470 0.8043 1.3140 0.4215 2.3580 2.9824 5.9865 10.9681 1.6348 0.6984 4.0512 2.9823 9.7982 4.9907 1.0710 2.0184 1.4969 4.7942 1.3973 5.9225 16.0895 6.8463 3.3753 2.2399 4.6716 5.6569 1.5603 5.5595 7.4575 11.3271 1.7890 2.4239 1.9954 3.2835 2.2497 10.9262 1.9177 0.7584 3.0372 3.4649 9.9496 1.0632 1.2083 3.1428 7.1271 8.2093 17.8962 4.4525 2.7283 3.0823 1.9747 10.4017 10.1525 2.2987 8.1948 14.7011 7.5243 10.3907 3.0573 4.7205 6.6638 7.2805 11.6299 2.6859 1.5905 15.5793 51.5721 7.8632 3.1679 4.1451 8.0316 2.7363 0.3861 1.2615 8.9666 8.1255 4.1999 2.0015 1.4252 6.8650 4.2173 5.6034 5.3537 7.5421 2.5999 0.1245 8.3617 24.3036 6.9049 13.6802 121.1565 16.1611 15.9768 17.7896 22.9589 0.1290 9.7755 3.4502 4.2446 8.7423 8.9373 11.7669 5.0016 128.2871 61.1667 4.6538 67.3422 91.6808 37.4342 107.5698 93.4339 66.4873 41.4516 69.1980 56.3818 120.8139 108.4800 25.8794 67.9663 79.0156 154.1513 73.1774 52.3902 28.8657 25.5412 62.3920 27.5420 69.5026 59.6530 86.1985 110.0363 42.1422 163.7224 18.8315 31.6539 0.7215 0.7395 0.7317 0.7139 0.7499 0.7500 0.7176 0.7437 0.7364 0.6226 0.7209 0.7059 0.6973 0.5957 0.6440 0.2938 0.7497 0.5602 0.4604 0.7314 0.5335 0.4298 0.5360 0.6414 0.5640 0.3641 0.1970 0.4766 0.7492 0.7156 0.5754 0.4042 0.2288 0.2551 0.1539 0.6405 0.7490 0.6277 0.4981 0.5252 0.6170 0.6511 0.5585 0.4442 0.5840 0.1040 0.1016 0.5555 0.7483 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0.8318 0.8520 0.1045 0.7274 0.7818 0.5952 0.6566 0.3298 0.5409 0.4080 0.3624 0.3762 0.2860 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 6 6 6 16 6 6 1 6 7 6 8 6 6 6 6 6 6 6 8 7 6 8 6 6 1 6 6 6 8 7 1 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 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 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 5728.9782 42742.1189 46256.1576 0.99997 0.00703 -0.00317 -0.00702 0.99997 0.00355 0.00319 -0.00353 0.99999 1 0.01512 0.00203 0.00187 0.31502 0.04222 0.03902 19.30 22.57 26.01 42.71 49.24 65.29 73.15 83.99 101.21 110.37 126.80 139.43 164.09 169.93 203.77 229.60 252.56 281.61 297.02 308.87 374.36 376.31 396.02 428.35 438.85 455.63 464.14 509.03 526.59 546.36 614.84 646.67 661.77 690.02 701.73 733.59 757.02 818.93 838.17 872.94 891.52 913.68 923.01 940.78 957.49 977.72 1024.79 1051.30 1059.59 1092.76 1137.45 1141.86 1155.90 1183.28 1195.44 1246.78 1259.65 1264.01 1284.26 1294.67 1321.71 1325.28 1343.13 1354.88 1382.39 1395.67 1416.02 1417.20 1434.86 1438.52 1449.57 1495.96 1501.53 1520.56 1535.77 1537.51 1545.89 1555.06 1573.74 1581.13 1594.82 1600.57 1625.98 1639.85 1650.62 1651.87 1703.22 1722.02 1742.76 1750.21 1755.99 1793.65 1825.31 1845.52 1863.07 1876.25 1882.03 1902.03 1906.71 1921.03 1931.45 1958.12 1967.57 1968.88 1994.61 2012.67 2024.92 2048.55 2065.94 2088.95 2114.35 2115.58 2129.27 2129.70 2146.80 2147.43 2154.47 2163.72 2190.85 2193.52 2217.16 2234.03 2235.92 2246.60 2259.14 2263.45 2282.75 2289.60 2343.08 2352.63 2358.71 2359.27 2363.59 2365.73 2376.10 2377.93 2379.72 2410.72 2425.85 2440.22 2545.96 2579.98 2636.91 2758.77 2881.12 2977.50 4621.76 4648.37 4651.35 4653.17 4687.00 4691.41 4702.79 4706.00 4710.60 4725.07 4731.08 4738.51 4739.60 4759.44 4769.37 4774.78 4789.15 4799.91 4842.76 4844.28 4859.01 4881.98 4905.57 4920.47 4927.26 4967.90 5328.25 5612.39 0.539140 0.566328 0.567273 0.475638 -1784.764511 -1784.737322 -1784.736378 -1784.828012 3.073419D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE c1cc(sc1)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C3=O)C[C@@H]4CCCO4)[NH+]5CCCC5 C27603895 RHF 6-31G(d) (6D,10F) C1 454.180053 |X|Y|Z| 51.796129 27.850622 150.510281 60.103457 29 6 7 8 16 24 3 1 1 |36.858105| |13.269686|36.858105| |8.193177|14.134853|36.858105| |7.453386|7.454526|10.931283|388.023441| |14.181406|8.247128|7.681125|78.462650|36.858105| |5.047649|7.496594|12.701067|47.540890|4.815900|36.858105| |4.701787|7.200486|9.026153|36.247521|4.189496|17.670362|0.500000| |4.027199|5.212568|7.473795|40.372697|4.058530|12.338009|0.246813|36.858105| |3.863902|4.930843|6.048068|32.934483|3.728913|7.795221|0.207757|13.225908|53.358707| |3.307232|4.196439|4.713552|25.608682|3.089082|6.129832|0.193422|7.900800|19.035707|36.858105| |3.091461|3.961746|4.459110|23.891296|2.875939|6.236635|0.213643|7.135463|11.649237|15.795680|73.516695| |2.917625|3.505413|3.678600|21.256757|2.709182|4.251993|0.131062|5.050519|10.596692|12.750793|14.306467|36.858105| |3.027665|3.503287|3.552186|21.258587|2.806337|3.783538|0.112379|4.372810|8.884598|7.523670|9.415719|13.645397|36.858105| |2.578576|2.871845|2.851466|17.703891|2.401335|2.971716|0.087719|3.322655|6.039533|5.002955|7.099759|7.849857|13.721858|36.858105| |2.240671|2.501640|2.500041|15.537858|2.093662|2.668546|0.079632|2.959680|5.150436|4.499856|6.820979|6.952870|8.078206|13.840510|36.858105| |2.195145|2.502007|2.541474|15.529948|2.052261|2.815201|0.085415|3.140582|5.419922|5.125155|8.113114|8.058918|6.960751|7.912050|13.822458|36.858105| |2.442772|2.872456|2.982859|17.679128|2.278971|3.450381|0.106820|3.942200|7.088236|7.735232|12.036617|13.662550|7.854873|6.733114|7.920139|13.859401|36.858105| |1.883472|2.111812|2.136733|13.302728|1.771272|2.348980|0.070721|2.568174|4.181728|3.762592|6.361405|4.996206|4.526423|5.223939|8.193424|12.743153|7.317209|36.858105| |1.764360|1.981302|2.017471|12.579328|1.665184|2.243057|0.067608|2.434830|3.846712|3.455478|6.119156|4.255545|3.712913|4.012363|5.481650|7.889164|6.114277|16.040340|73.516695| |1.787664|1.967010|1.966889|12.448593|1.683807|2.108041|0.062724|2.284991|3.693921|3.171374|5.260558|4.135518|4.139588|5.225338|8.295685|8.299646|5.229614|13.785384|14.766638|53.358707| |1.931792|2.111386|2.095331|13.306589|1.815741|2.207802|0.065306|2.403156|3.972059|3.339872|5.325288|4.518494|4.999166|7.304965|12.710469|8.181948|5.222103|8.274650|9.840008|18.736703|36.858105| |1.848400|1.984589|1.953456|12.601597|1.742763|2.019671|0.059154|2.178784|3.544857|2.876872|4.595540|3.713735|4.266630|6.125417|7.899575|5.483446|4.016106|5.533337|7.467229|11.271792|16.068987|73.516695| |1.575829|1.712626|1.710833|10.984569|1.493158|1.820701|0.053742|1.954393|3.069641|2.567871|4.348654|3.152868|3.155417|3.800892|5.143343|5.143693|3.802258|7.625602|11.676753|17.841774|7.629812|11.639086|36.858105| |1.474593|1.594875|1.613268|10.503919|1.414608|1.722550|0.050204|1.873665|2.908424|2.394720|4.060309|2.870298|2.849247|3.330504|4.269442|4.344855|3.405789|5.948750|10.003950|10.502267|5.636217|9.075187|12.455916|36.858105| |1.472355|1.602948|1.633956|10.604257|1.415257|1.765274|0.051511|1.929195|2.977060|2.475904|4.254612|2.933392|2.818034|3.186995|4.065084|4.435116|3.568692|6.287336|11.774679|9.319905|4.905770|7.560558|8.902976|17.592151|0.500000| |1.326578|1.419917|1.430826|9.413875|1.276710|1.513492|0.043881|1.628983|2.485131|2.008526|3.432681|2.337023|2.342320|2.689713|3.248836|3.237390|2.677131|4.084047|7.139196|6.794631|4.120891|7.227468|7.492543|12.421096|0.242182|36.858105| |1.320744|1.400643|1.407982|9.353885|1.275720|1.472645|0.042397|1.588321|2.428908|1.930182|3.251794|2.248777|2.320019|2.706895|3.175028|3.003080|2.497032|3.544381|5.904143|6.030720|4.076630|7.717642|5.894550|7.979500|0.160948|12.441074|36.858105| |1.410442|1.499215|1.519273|10.123492|1.369415|1.594183|0.045648|1.747123|2.698189|2.136617|3.548642|2.519741|2.620523|3.087452|3.627348|3.376989|2.786335|3.874816|6.265585|6.520671|4.600225|8.564538|5.656548|8.154007|0.171161|8.041651|12.488754|36.858105| |1.525974|1.642455|1.669622|10.973663|1.473789|1.773270|0.051172|1.956937|3.065979|2.484231|4.117569|3.009266|3.074785|3.670658|4.614060|4.405669|3.461092|5.373548|8.408465|9.391595|6.065949|10.171634|7.946937|13.521847|0.260948|8.096426|8.127292|13.481235|73.516695| |4.113296|5.394181|7.647809|39.848761|4.095000|12.528031|0.255418|7.592702|6.944536|4.475985|8.774713|3.330767|2.957858|2.437515|2.258097|2.408406|2.891094|2.080110|3.606991|2.542961|1.921426|3.140528|1.643852|1.570083|0.044981|1.394037|1.349967|1.451345|2.850825|53.358707| |3.953203|4.837065|6.969465|43.897079|4.185709|9.232649|0.182591|7.140569|6.396844|3.972546|7.464868|3.044602|2.761046|2.298645|2.122641|2.240893|2.649554|1.948022|3.374643|2.401830|1.820241|2.995402|1.562348|1.505322|0.043079|1.342648|1.306645|1.409119|2.750460|25.729050|0.500000| |3.144037|3.937700|4.918290|27.880120|3.093678|7.438673|0.196847|6.278262|6.260061|4.446932|9.569846|3.312646|2.825869|2.361289|2.252742|2.472987|3.008098|2.167023|3.833502|2.603521|1.927689|3.118365|1.688872|1.621714|0.047008|1.435956|1.374990|1.475764|2.918053|16.946393|0.255543|36.858105| |2.839880|3.437771|3.979659|23.451529|2.763633|5.138135|0.144520|4.235148|4.664603|3.412392|7.202669|2.722413|2.376538|2.045730|1.975973|2.158550|2.549950|1.939513|3.467403|2.351347|1.727140|2.815493|1.547539|1.482734|0.042935|1.327655|1.267892|1.345372|2.641303|10.605439|0.178239|12.405277|36.858105| |3.174339|3.765555|4.332829|26.301747|3.121707|5.067193|0.135257|3.924148|4.307726|3.025232|6.041615|2.463935|2.224062|1.923947|1.831292|1.956165|2.267235|1.755944|3.103706|2.165284|1.609645|2.654738|1.430936|1.368709|0.039280|1.234293|1.189141|1.259386|2.450420|10.918038|0.195914|7.845681|12.451407|36.858105| |4.229088|5.373065|6.493713|35.335344|4.074070|7.470093|0.190583|4.898245|5.223770|3.536643|6.897929|2.810268|2.559359|2.168583|2.022481|2.137541|2.499159|1.879672|3.272214|2.323805|1.751768|2.889582|1.518435|1.441927|0.041129|1.292927|1.252454|1.332137|2.597892|17.176977|0.259920|7.841306|7.997677|12.543390|36.858105| |17.762389|8.584714|5.714887|37.699559|8.923612|4.034623|0.109132|3.341047|4.503272|2.940502|4.911921|2.684125|2.824373|2.469194|2.154553|2.090968|2.285821|1.811484|3.012838|2.364016|1.881508|3.229242|1.539627|1.433392|0.039560|1.296557|1.294265|1.373462|2.629029|4.644449|0.090714|2.732246|2.531798|2.809967|3.589030|0.500000| |8.597482|17.728293|8.914556|37.663284|5.738800|6.698075|0.210562|4.753666|6.477032|4.369670|7.495927|3.705548|3.654927|3.005977|2.641188|2.659920|3.062907|2.240063|3.734633|2.826681|2.221711|3.690646|1.799377|1.656064|0.046219|1.470112|1.442296|1.534922|3.005770|6.739672|0.118366|3.861374|3.446808|3.668771|5.073877|0.201800|0.500000| |8.764869|5.688240|5.406579|55.457467|17.789816|3.830683|0.094345|3.394351|4.303954|2.668465|4.427856|2.396788|2.506135|2.193480|1.922919|1.872223|2.048283|1.634101|2.734712|2.133191|1.690722|2.910998|1.401661|1.333956|0.036972|1.212213|1.217161|1.304480|2.476061|4.642368|0.098543|2.681794|2.439481|2.751227|3.424960|0.203518|0.122584|0.500000| |3.330531|4.158321|5.516674|32.042507|3.360568|8.760597|0.203366|17.631277|12.543064|7.344803|13.528026|4.759779|3.934796|3.086006|2.850010|3.114485|3.956511|2.591505|4.451688|3.091508|2.340358|3.744158|1.954442|1.891752|0.054735|1.642663|1.587747|1.746601|3.492581|10.030028|0.193956|7.482121|4.669201|4.037564|4.683369|0.079023|0.109279|0.080449|0.500000| |4.054964|4.891106|7.103222|47.197853|4.363100|8.771842|0.174820|17.619054|12.609123|5.812765|9.146200|4.255775|3.940276|3.084810|2.721644|2.815744|3.393244|2.338379|3.931009|2.885782|2.247528|3.676319|1.833137|1.774551|0.050507|1.555635|1.531044|1.690155|3.326881|8.783556|0.193095|5.170149|3.718820|3.605922|4.429826|0.092547|0.117965|0.102670|0.302479|0.500000| |3.760341|4.512501|5.333132|32.125404|3.715635|5.965058|0.154497|9.065308|26.095340|9.314481|10.917641|7.308811|7.203757|4.833263|3.931691|3.944223|4.882915|3.033630|4.877706|3.733155|3.021294|4.851166|2.277610|2.172272|0.061201|1.856803|1.838012|2.064125|4.145768|5.745282|0.112833|3.785859|2.941831|2.778926|3.318700|0.090330|0.118321|0.089147|0.190575|0.234382|0.500000| |3.507905|4.029179|4.061447|24.432550|3.251091|4.121865|0.118930|4.746555|9.804588|6.914069|8.677279|8.870171|17.723578|8.972660|5.718275|4.998329|5.607795|3.607476|5.460555|4.618174|4.043424|6.502077|2.708095|2.482036|0.067970|2.094290|2.099232|2.355545|4.771689|4.249483|0.081657|2.870748|2.402346|2.295305|2.696319|0.089907|0.113899|0.079939|0.112559|0.122215|0.243185|0.500000| |2.535120|2.742533|2.684178|17.091741|2.370125|2.710523|0.078773|2.982887|5.225358|4.067310|5.930591|5.593466|8.843562|17.746774|8.897328|5.630952|4.881327|4.269411|6.030283|6.212320|6.545855|11.330196|3.523956|3.115429|0.081059|2.590202|2.684425|3.052268|6.200790|3.054220|0.059365|2.145321|1.879721|1.794213|2.023026|0.068325|0.078947|0.060882|0.076316|0.078898|0.118492|0.214774|0.500000| |2.322468|2.747277|2.889526|17.076537|2.176226|3.443204|0.107610|3.894333|6.553716|7.176802|13.325467|8.853323|5.602499|4.882414|5.630181|8.885639|17.762015|6.534355|11.265743|6.206103|4.263272|6.028856|3.519490|3.220753|0.096613|2.567192|2.349285|2.584969|5.657971|4.055897|0.075274|3.229577|2.743105|2.375496|2.568947|0.060188|0.081446|0.054343|0.113533|0.091823|0.120448|0.123420|0.106364|0.500000| |1.548455|1.667111|1.651467|10.665904|1.465244|1.734333|0.051030|1.847677|2.895267|2.382237|4.005243|2.904298|3.002375|3.684460|4.770563|4.416422|3.358133|5.728195|8.708544|12.691475|7.417765|13.401227|17.636012|8.802722|0.174089|7.047302|6.397432|5.693508|12.333137|2.127887|0.041372|1.589702|1.462628|1.365298|1.453765|0.042305|0.048627|0.038371|0.050855|0.048465|0.060107|0.072788|0.098698|0.085349|0.500000| |1.529959|1.668112|1.662532|10.619187|1.444652|1.776920|0.052780|1.886069|2.928103|2.466538|4.265594|2.963838|2.892566|3.358680|4.402260|4.673470|3.611272|7.051619|12.398781|12.539498|5.798495|8.928434|17.607974|8.827220|0.218718|6.573762|4.872940|4.458155|10.181527|2.202622|0.042553|1.675277|1.549284|1.427057|1.504804|0.041591|0.048956|0.037631|0.052675|0.048878|0.059563|0.069515|0.085970|0.096025|0.300915|0.500000| |1.294916|1.385221|1.387521|9.097803|1.240714|1.464296|0.042645|1.559158|2.368057|1.918319|3.304667|2.217795|2.217201|2.532679|3.042059|3.046482|2.538433|3.855342|6.853537|6.373603|3.841051|6.778960|7.228641|8.676143|0.190444|17.570262|8.654740|5.719963|10.385980|1.841185|0.036085|1.393610|1.297960|1.208385|1.263654|0.035299|0.040026|0.032728|0.043608|0.041242|0.048847|0.055285|0.067897|0.068059|0.199809|0.199521|0.500000| |1.265431|1.353848|1.372047|9.068967|1.223766|1.456583|0.042065|1.571490|2.373950|1.910327|3.288622|2.186565|2.165342|2.431865|2.882610|2.934128|2.496872|3.632249|6.584093|5.633499|3.473254|6.005201|5.572328|8.818345|0.224408|17.565842|8.807888|6.817842|11.817276|1.840581|0.036290|1.400688|1.297748|1.203701|1.253151|0.034270|0.038793|0.032323|0.044317|0.041793|0.049156|0.054148|0.064802|0.067595|0.141341|0.145032|0.302236|0.500000| |1.346765|1.424135|1.420540|9.416982|1.294771|1.475738|0.042605|1.580530|2.426303|1.926223|3.233074|2.257188|2.363656|2.802312|3.274500|3.012817|2.484709|3.510065|5.717269|6.192750|4.345423|8.710330|6.056834|6.751407|0.137127|8.780909|17.560365|8.826254|12.022321|1.833154|0.036135|1.363310|1.259426|1.186444|1.255039|0.036837|0.040869|0.034332|0.043577|0.042289|0.051059|0.059548|0.078411|0.064272|0.208298|0.137809|0.216619|0.173860|0.500000| |1.233663|1.301361|1.309327|8.761854|1.196407|1.365047|0.039129|1.468185|2.222206|1.749263|2.960240|2.004244|2.063778|2.365030|2.700498|2.573596|2.197237|2.965518|5.037307|4.821104|3.320809|6.284723|4.458739|5.701049|0.128583|8.674779|17.589514|8.715010|10.360278|1.714463|0.033989|1.282522|1.187950|1.117602|1.172589|0.033623|0.037096|0.031838|0.040821|0.039513|0.046706|0.052539|0.065583|0.057962|0.132459|0.108868|0.193949|0.218111|0.301856|0.500000| |1.451921|1.534070|1.549950|10.382603|1.411540|1.611755|0.045974|1.768134|2.744966|2.148010|3.523898|2.544127|2.719023|3.260668|3.721050|3.311606|2.743130|3.616230|5.696751|6.117836|4.715297|9.368700|4.928169|6.036868|0.133166|5.757181|8.681225|17.613808|16.658267|1.984583|0.039414|1.468481|1.335058|1.257636|1.338258|0.039347|0.043491|0.037445|0.048666|0.047797|0.058970|0.068502|0.092159|0.069574|0.145154|0.108615|0.127259|0.137653|0.220202|0.192329|0.500000| |1.351208|1.433961|1.463100|9.819856|1.320590|1.539357|0.043818|1.694993|2.590620|2.035571|3.398081|2.356773|2.421167|2.772497|3.180468|3.040253|2.589468|3.429821|5.722053|5.405807|3.788664|6.858918|4.515340|6.477189|0.155052|6.704047|8.779591|17.538141|16.554882|1.921449|0.038250|1.440893|1.313986|1.228720|1.293104|0.036440|0.040568|0.035025|0.047366|0.045780|0.055046|0.061035|0.075757|0.067727|0.121876|0.104894|0.136108|0.185336|0.174383|0.219288|0.300736|0.500000| |2.855689|3.442813|4.322126|26.565490|2.893979|6.118760|0.152613|6.075378|5.963348|4.137414|8.564127|3.141323|2.697471|2.271720|2.174105|2.382894|2.874940|2.102312|3.730441|2.531377|1.870894|3.032570|1.650537|1.604242|0.046663|1.422855|1.364526|1.471978|2.902844|12.229564|0.242677|17.653302|8.691464|6.259275|5.938538|0.069190|0.091866|0.070911|0.219564|0.147774|0.102940|0.076005|0.057511|0.085755|0.043077|0.045311|0.038179|0.038753|0.037393|0.035453|0.040652|0.040182|0.500000| |3.088565|3.944994|4.778094|25.977405|2.965316|7.522383|0.228670|6.755300|7.180679|5.505716|13.206820|3.911590|3.195838|2.631897|2.531163|2.839403|3.567354|2.456367|4.354040|2.899288|2.135016|3.410182|1.858908|1.773707|0.051633|1.554483|1.479285|1.590374|3.178927|12.195446|0.186311|17.671152|8.654973|5.813600|6.197460|0.075255|0.111383|0.071233|0.232246|0.142894|0.115865|0.088380|0.065280|0.108872|0.048265|0.051308|0.041889|0.041999|0.040732|0.038113|0.043821|0.042962|0.301300|0.500000| |2.469356|2.897507|3.318282|20.548528|2.439081|4.128863|0.114199|3.667164|4.117791|3.027735|6.314022|2.474400|2.167757|1.891710|1.845128|2.020255|2.360630|1.841324|3.321877|2.234928|1.629860|2.661574|1.483800|1.433505|0.041684|1.289427|1.228660|1.302292|2.549281|7.863903|0.146669|8.761101|17.619141|8.694386|5.712299|0.061844|0.080227|0.060902|0.114859|0.091968|0.073539|0.060444|0.048415|0.071024|0.038883|0.041347|0.034998|0.035199|0.033769|0.032085|0.035777|0.035506|0.223164|0.186710|0.500000| |2.763204|3.372425|3.732763|21.409867|2.617908|4.735434|0.143878|3.885031|4.509612|3.433261|7.431149|2.776606|2.404338|2.081079|2.028590|2.234288|2.641540|2.017329|3.626381|2.433227|1.776017|2.884495|1.600387|1.520852|0.044073|1.360272|1.292204|1.363561|2.686567|8.517354|0.140017|8.821096|17.591362|8.820655|6.787204|0.069510|0.097521|0.064200|0.116807|0.093186|0.078786|0.066769|0.052895|0.079709|0.041957|0.044805|0.037111|0.036850|0.035732|0.033560|0.037484|0.036848|0.176729|0.225095|0.302857|0.500000| |2.980489|3.404795|3.979946|26.096686|3.038811|4.498025|0.114675|3.691078|4.013760|2.765192|5.399878|2.277944|2.078227|1.808909|1.719532|1.825580|2.097394|1.646191|2.908964|2.041587|1.519909|2.518464|1.356119|1.306973|0.037500|1.183318|1.143944|1.213947|2.350172|9.429642|0.198236|6.644621|8.761901|17.548391|8.845949|0.073239|0.089681|0.075748|0.106230|0.098055|0.073258|0.059821|0.047142|0.060758|0.035993|0.037456|0.032105|0.032155|0.031637|0.029963|0.033712|0.033037|0.169205|0.136438|0.217125|0.173865|0.500000| |2.977142|3.448817|3.748288|23.024703|2.879904|4.151135|0.115158|3.281705|3.766051|2.691674|5.344693|2.251743|2.051377|1.798819|1.721427|1.832950|2.097166|1.662055|2.946083|2.060378|1.527623|2.529542|1.370120|1.306353|0.037419|1.184374|1.140136|1.199807|2.326879|7.775739|0.142117|5.645398|8.687616|17.614235|8.806749|0.075017|0.095455|0.071461|0.092617|0.084356|0.068381|0.058590|0.046835|0.060954|0.036424|0.038123|0.032350|0.032073|0.031668|0.029817|0.033256|0.032476|0.130480|0.129349|0.194648|0.218861|0.302351|0.500000| |4.436999|5.945947|6.443509|32.131058|3.991017|7.257516|0.216441|4.648454|5.278566|3.702503|7.313319|2.961767|2.688981|2.276240|2.125003|2.250166|2.636258|1.972436|3.426964|2.433811|1.834843|3.018923|1.583750|1.488784|0.042380|1.332052|1.287170|1.363407|2.667906|12.354880|0.183342|6.709983|6.983503|8.799217|17.626825|0.106636|0.169784|0.092414|0.121346|0.112966|0.092338|0.078319|0.058783|0.075171|0.042158|0.043753|0.036302|0.035715|0.035964|0.033377|0.038029|0.036571|0.138984|0.168238|0.139877|0.193920|0.173320|0.215360|0.500000| 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