Version2.0
2020-07-29T17:25:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
14-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1cc(c(s1)C)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)c4ccc5c(c4)OCO5 C04978935
RHF
6-31G(d)
(6D,7F)
Cc1cc(c(s1)C)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)c4ccc5c(c4)OCO5
C01[X(C20H16N4O3S1)]
126
C1
456
N#CC1=C(N)OC2=NN=C([C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1cc(sc1C)C
N#CC1=C(N)OC2=NN=C([C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1cc(sc1C)C
Cc1sc(C)c(c1)C2=NN=C3OC(=C(C#N)[C@H]([C@@H]23)c4ccc5OCOc5c4)N
InChIKey=CEXZKBJLDMFGJO-SJORKVTESA-N
InChI=1S/C20H16N4O3S/c1-9-5-12(10(2)28-9)18-17-16(11-3-4-14-15(6-11)26-8-25-14)13(7-21)19(22)27-20(17)24-23-18/h3-6,16-17H,8,22H2,1-2H3/t16-,17+/m1/s1
InChI=1/C20H16N4O3S/c1-9-5-12(10(2)28-9)18-17-16(11-3-4-14-15(6-11)26-8-25-14)13(7-21)19(22)27-20(17)24-23-18/h3-6,16-17H,8,22H2,1-2H3/t16-,17+/m1/s1
Cc1cc(c(s1)C)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)c4ccc5c(c4)OCO5
C01[X(C20H16N4O3S1)]
126
C01
456
N#CC1=C(N)OC2=NN=C([C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1cc(sc1C)C
N#CC1=C(N)OC2=NN=C([C@@H]2[C@@H]1[C]1[CH][CH][C]2[C]([CH]1)OCO2)[C]1[CH]=C(S[C]=1C)C
Cc1sc(C)c(c1)C2=NN=C3OC(=C(C#N)[C@@H]([C]4[CH][CH][C]5OCO[C]5[CH]4)[C@@H]23)N
InChIKey=CEXZKBJLDMFGJO-SJORKVTESA-N
InChI=1S/C20H16N4O3S/c1-9-5-12(10(2)28-9)18-17-16(11-3-4-14-15(6-11)26-8-25-14)13(7-21)19(22)27-20(17)24-23-18/h3-6,16-17H,8,22H2,1-2H3/t16-,17+/m1/s1
InChI=1/C20H16N4O3S/c1-9-5-12(10(2)28-9)18-17-16(11-3-4-14-15(6-11)26-8-25-14)13(7-21)19(22)27-20(17)24-23-18/h3-6,16-17H,8,22H2,1-2H3/t16-,17+/m1/s1
2757.3651026874
-1606.4845559
1-A
10274.0640
102
354
456
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10.59848
-0.8189 -0.6765 0.4943
1.1716
|XX|YY|ZZ|XY|XZ|YZ|
-151.7593 -166.0828 -185.2948 -10.2631 -16.9065 -15.5821
|XX|YY|ZZ|XY|XZ|YZ|
15.9530 1.6295 -17.5825 -10.2631 -16.9065 -15.5821
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
91.4444 58.3433 -10.5818 -35.7637 -15.0634 -80.2244 -85.0275 2.8959 19.9239 -9.9156
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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392.09431
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
19.5737 21.9786 31.7922 47.2642 57.6559 75.9940 76.8932 89.6609 125.8657 129.3795 139.8713 153.5168 161.1353 165.4684 197.8503 203.4785 238.8018 262.0566 270.5523 308.2615 324.3951 340.7787 351.5513 380.1193 395.3962 423.3650 445.9014 458.6831 462.6268 472.5254 483.9682 488.8283 536.5807 546.9218 556.0950 565.0742 590.7893 629.3999 640.1070 669.6249 684.1488 715.7714 739.3132 742.3245 755.1647 770.2344 790.7393 794.8067 813.4202 820.6219 850.9789 871.5517 896.3694 912.7371 936.1573 950.4493 977.2420 994.5936 1013.6179 1027.6662 1057.1666 1094.7866 1109.4545 1128.7957 1133.7824 1148.9842 1151.5763 1171.6531 1183.1948 1204.4386 1219.1657 1223.0734 1248.6659 1262.3649 1263.6314 1271.9511 1294.1547 1298.8423 1315.2239 1332.5646 1344.7335 1350.4681 1366.3215 1410.9448 1419.2614 1441.3143 1463.7007 1496.5819 1512.6463 1548.8955 1563.9443 1569.1749 1570.3233 1586.2518 1613.7978 1623.5692 1623.8192 1627.1134 1637.5785 1679.3560 1699.7664 1714.2271 1780.2537 1785.1733 1813.8883 1816.3128 1828.8243 1835.0231 1907.4311 2569.2307 3208.7643 3217.8747 3223.0748 3252.4739 3254.8336 3265.5189 3287.1860 3287.3774 3308.2382 3333.1643 3379.1350 3386.8419 3397.7960 3407.1607 3822.3877 3942.3240
5.6630 5.6759 4.6112 7.8457 5.4989 3.9518 3.5385 6.5136 1.2318 1.6487 4.4755 2.4052 4.4251 3.6087 5.5750 5.5504 5.4075 3.9560 4.5404 5.6267 5.6616 4.9069 5.1247 3.7541 1.2942 5.1743 5.2284 4.5164 7.5393 5.5591 1.8448 2.0827 5.1203 5.3092 4.2825 6.6337 6.6540 8.4701 6.9205 5.1832 6.2366 6.0003 5.9449 5.2500 5.5007 4.7572 6.5773 5.9395 7.6429 6.0140 4.9376 4.3006 7.4745 7.1457 1.5342 1.4424 4.1248 1.5764 3.8265 3.4714 1.3511 2.2566 2.2921 2.3935 7.7629 2.5917 1.4340 1.4215 4.3123 2.7867 2.9031 1.9695 3.6836 1.5428 2.3456 3.0047 2.2182 2.0640 2.7641 1.9473 1.2256 2.0969 1.9524 2.0365 1.7787 2.0078 2.7577 2.1846 3.3096 4.5717 2.9330 1.4121 1.2363 1.4267 2.8881 1.0434 1.0550 1.0687 1.0920 3.1746 7.3559 1.1414 2.5732 4.9690 10.9613 6.8119 6.7737 1.9464 11.9005 12.6857 1.0361 1.0834 1.0364 1.0627 1.0864 1.1033 1.1031 1.1039 1.1023 1.1103 1.0938 1.0897 1.0933 1.0959 1.0474 1.1048
0.0013 0.0016 0.0027 0.0103 0.0108 0.0134 0.0123 0.0309 0.0115 0.0163 0.0516 0.0334 0.0677 0.0582 0.1286 0.1354 0.1817 0.1601 0.1958 0.3150 0.3510 0.3357 0.3732 0.3196 0.1192 0.5464 0.6125 0.5598 0.9507 0.7313 0.2546 0.2932 0.8686 0.9357 0.7803 1.2480 1.3683 1.9769 1.6707 1.3693 1.7199 1.8112 1.9145 1.7045 1.8482 1.6628 2.4231 2.2107 2.9795 2.3861 2.1067 1.9247 3.5384 3.5074 0.7922 0.7677 2.3209 0.9188 2.3164 2.1600 0.8896 1.5936 1.6623 1.7968 5.8794 2.0159 1.1204 1.1498 3.5569 2.3819 2.5424 1.7358 3.3839 1.4485 2.2067 2.8641 2.1889 2.0515 2.8171 2.0373 1.3058 2.2532 2.1475 2.3886 2.1109 2.4574 3.4810 2.8829 4.4617 6.4621 4.2268 2.0486 1.7963 2.1151 4.4317 1.6205 1.6390 1.6671 1.7254 5.2751 12.5218 1.9762 4.8049 9.3300 21.2487 13.2404 13.3481 3.8616 25.5102 49.3367 6.2856 6.6095 6.3432 6.6235 6.7812 6.9316 7.0229 7.0285 7.1077 7.2681 7.3584 7.3642 7.4367 7.4958 9.0165 10.1169
0.1456 0.0640 0.2125 0.5946 3.1263 3.3060 7.6141 1.1206 0.2248 2.3235 6.2950 3.9012 0.8222 5.1520 0.6742 1.1484 3.4432 1.1643 4.9714 2.9650 0.6345 1.3873 0.0652 26.7985 202.3998 15.6657 3.5958 18.3904 14.6574 13.6008 107.0401 75.6368 0.4532 15.0747 7.3792 2.8588 4.2713 3.6181 0.6513 1.4699 0.8879 7.0846 11.6497 0.7058 32.8098 5.7870 12.5145 6.7975 28.6301 12.3173 15.8787 3.1876 5.5811 8.4462 17.3681 26.0785 15.1571 22.4341 1.4199 5.3617 2.5318 1.9856 7.7596 11.8324 63.9399 18.8431 3.8960 1.0221 92.1044 41.5611 61.9097 18.4481 15.8913 20.4413 2.4921 3.8454 62.1423 31.8141 30.6821 45.4558 13.2132 5.7508 34.9646 131.7827 51.5991 14.0089 125.3378 63.9892 3.9156 63.6650 395.8388 57.4733 2.0440 13.5631 87.8166 9.6379 3.7554 4.8300 10.6095 309.2788 77.5032 0.0990 188.6186 62.4778 66.7416 5.4056 3.9548 537.7126 213.9943 99.7147 41.6188 4.2020 22.9355 116.4075 15.1107 20.2956 14.3523 17.5193 10.3714 60.4204 11.0470 8.6412 3.9606 4.3577 127.0095 73.2633
3.8908 2.0742 1.9124 5.0614 2.1477 0.6173 0.4227 1.7245 0.4142 1.6902 1.6210 0.3271 0.6780 0.1069 1.4269 0.8788 4.3604 2.1750 0.8819 0.9391 2.8557 1.1938 2.2561 3.2107 2.3706 1.8570 4.4010 0.2168 1.6962 2.7490 2.1529 1.0970 8.3274 0.3877 4.2717 5.1845 2.1937 4.5895 1.3265 1.8074 4.6317 0.4955 4.7279 20.9489 3.5268 2.4179 2.0107 2.7767 4.4471 6.7575 3.7825 2.3920 7.5974 17.5055 1.7344 5.3751 3.3252 0.7828 6.5094 7.6462 1.5061 10.6410 5.6803 2.4710 0.6950 3.3606 1.7391 0.1492 1.8320 6.9374 6.4164 3.5807 6.3408 1.0561 1.1938 9.2959 3.2294 8.3410 3.7647 1.5630 6.3778 9.8181 3.5293 5.5917 2.5294 1.3735 4.6956 16.0120 21.3935 4.5661 7.8914 9.7493 17.2631 6.5907 11.0727 12.5352 33.2973 12.4137 25.0494 0.4419 122.5422 21.6699 54.5795 86.3733 153.1215 9.6374 18.5422 25.9271 95.0312 195.8383 173.0903 66.1978 134.7034 139.9178 52.4180 103.2663 70.9666 69.4994 42.7424 141.3049 49.1819 31.4893 40.6043 119.1364 124.2023 54.7723
0.7466 0.6409 0.7461 0.7227 0.7490 0.5465 0.6192 0.6074 0.6290 0.7100 0.7152 0.7431 0.7425 0.5683 0.7488 0.7472 0.6337 0.5341 0.5170 0.7339 0.0776 0.5442 0.6229 0.4751 0.2813 0.5179 0.6123 0.6861 0.4217 0.2557 0.6573 0.1228 0.3595 0.7188 0.6339 0.7439 0.7246 0.7299 0.7336 0.5157 0.5256 0.6456 0.4849 0.1613 0.3336 0.5456 0.3591 0.3978 0.4049 0.3990 0.1209 0.5322 0.2658 0.0850 0.6998 0.7390 0.2078 0.7390 0.4336 0.2831 0.7043 0.3641 0.6745 0.6795 0.6206 0.5301 0.7099 0.6727 0.4870 0.4689 0.7040 0.2263 0.5239 0.7487 0.7483 0.2715 0.2006 0.6384 0.5094 0.7406 0.7330 0.5696 0.1423 0.6281 0.4133 0.5853 0.1299 0.3499 0.7448 0.6595 0.7499 0.6396 0.5416 0.7470 0.5779 0.6699 0.5962 0.6418 0.5135 0.7029 0.1384 0.4995 0.1773 0.6026 0.3087 0.6133 0.6192 0.1194 0.1664 0.2954 0.0474 0.3866 0.0375 0.1528 0.1092 0.7379 0.7404 0.7211 0.7434 0.5116 0.2760 0.6847 0.2864 0.2101 0.1664 0.6973
0.8549 0.7812 0.8546 0.8390 0.8565 0.7068 0.7648 0.7558 0.7723 0.8304 0.8340 0.8526 0.8522 0.7247 0.8563 0.8553 0.7758 0.6963 0.6816 0.8465 0.1440 0.7048 0.7676 0.6441 0.4390 0.6824 0.7595 0.8138 0.5933 0.4073 0.7932 0.2187 0.5289 0.8364 0.7760 0.8531 0.8403 0.8438 0.8464 0.6805 0.6890 0.7847 0.6531 0.2778 0.5003 0.7060 0.5285 0.5691 0.5764 0.5704 0.2158 0.6947 0.4200 0.1567 0.8234 0.8499 0.3440 0.8499 0.6050 0.4413 0.8265 0.5338 0.8056 0.8092 0.7659 0.6929 0.8303 0.8044 0.6550 0.6384 0.8263 0.3691 0.6876 0.8563 0.8560 0.4271 0.3342 0.7793 0.6750 0.8510 0.8459 0.7258 0.2492 0.7716 0.5848 0.7384 0.2299 0.5185 0.8537 0.7949 0.8571 0.7802 0.7026 0.8552 0.7325 0.8024 0.7470 0.7819 0.6785 0.8255 0.2431 0.6663 0.3012 0.7520 0.4718 0.7603 0.7649 0.2133 0.2853 0.4561 0.0905 0.5576 0.0723 0.2651 0.1970 0.8492 0.8508 0.8379 0.8528 0.6769 0.4326 0.8128 0.4452 0.3472 0.2854 0.8217
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
6 6 6 6 6 16 6 6 7 7 6 6 1 6 1 6 6 8 7 6 7 6 6 6 6 6 6 8 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
8962.9800 12285.7065 16034.8979
0.99995 0.00421 -0.00930 -0.00444 0.99969 -0.02444 0.00920 0.02448 0.99966
1
0.00966 0.00705 0.00540
0.20136 0.14690 0.11255
28.16 31.62 45.74 68.00 82.95 109.34 110.63 129.00 181.09 186.15 201.24 220.88 231.84 238.07 284.66 292.76 343.58 377.04 389.26 443.52 466.73 490.30 505.80 546.91 568.89 609.13 641.55 659.94 665.62 679.86 696.32 703.31 772.02 786.90 800.10 813.02 850.01 905.57 920.97 963.44 984.34 1029.84 1063.71 1068.04 1086.51 1108.20 1137.70 1143.55 1170.33 1180.69 1224.37 1253.97 1289.68 1313.23 1346.92 1367.48 1406.03 1431.00 1458.37 1478.58 1521.03 1575.15 1596.26 1624.09 1631.26 1653.13 1656.86 1685.75 1702.35 1732.92 1754.11 1759.73 1796.55 1816.26 1818.08 1830.05 1862.00 1868.74 1892.31 1917.26 1934.77 1943.02 1965.83 2030.03 2042.00 2073.73 2105.94 2153.25 2176.36 2228.52 2250.17 2257.69 2259.35 2282.26 2321.90 2335.95 2336.31 2341.05 2356.11 2416.22 2445.58 2466.39 2561.39 2568.47 2609.78 2613.27 2631.27 2640.19 2744.37 3696.55 4616.70 4629.80 4637.29 4679.58 4682.98 4698.35 4729.53 4729.80 4759.82 4795.68 4861.82 4872.91 4888.67 4902.14 5499.56 5672.12
0.357411
0.380458
0.381402
0.302451
-1606.127145
-1606.104098
-1606.103154
-1606.182105
2.648030D-04
MUNgauss
RevisionA2.0
retrievium
29-Jul-2020
DUDE Cc1cc(c(s1)C)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)c4ccc5c(c4)OCO5 C04978935
RHF
6-31G(d)
(6D,10F)
C1
392.094312
|X|Y|Z|
72.365794 58.906701 39.588624
55.261519
23
|36.858105|
|12.691352|36.858105|
|7.437705|14.192548|36.858105|
|5.013803|8.142351|13.175792|36.858105|
|4.783546|7.578976|8.171994|14.049721|36.858105|
|6.737200|10.972119|7.524257|7.487194|11.006096|388.023441|
|3.524164|4.788852|5.013290|7.366996|12.679082|48.320399|36.858105|
|3.737194|5.127756|7.457474|12.990424|7.613870|34.066755|6.049414|36.858105|
|3.083005|4.019748|5.148482|7.883486|6.392438|29.114389|6.299248|15.002155|53.358707|
|2.614858|3.222359|4.024774|5.254034|4.370679|22.539387|4.367863|8.624535|18.312327|53.358707|
|2.718366|3.305967|4.261858|5.192496|4.057600|21.855315|3.780181|8.554165|12.092548|20.761757|36.858105|
|3.390538|4.272881|6.074005|7.216329|4.914939|26.332581|4.121442|12.616836|11.295322|11.217082|12.834742|36.858105|
|3.519493|4.304900|6.159877|6.389681|4.421530|25.212282|3.640952|8.895496|8.749205|8.694916|9.030044|17.511838|0.500000|
|3.266957|3.929305|5.232128|5.535750|4.139311|23.921253|3.523580|7.109932|7.338748|7.522920|7.677777|12.307251|0.245710|36.858105|
|3.713466|4.362774|5.858278|5.452496|4.059181|24.871632|3.321826|6.080213|6.159902|5.982920|5.647315|8.904827|0.227011|17.596305|0.500000|
|2.659372|3.038084|3.792750|3.934022|3.155917|18.929737|2.825952|4.943108|5.833037|6.696154|7.065931|7.797904|0.191624|12.500762|0.249636|36.858105|
|2.359554|2.691016|3.304875|3.541644|2.908238|17.250522|2.692072|4.606364|5.910728|7.545255|8.299350|6.892851|0.175221|7.518153|0.160685|14.115513|36.858105|
|2.362750|2.755008|3.407926|3.854081|3.166064|18.110749|2.996625|5.385243|7.509647|11.334934|14.155015|7.727791|0.187401|6.500798|0.138224|8.039877|14.149099|73.516695|
|2.049845|2.278081|2.704711|2.841398|2.416258|14.744464|2.274658|3.501448|4.636234|5.776155|5.514219|4.678868|0.126770|4.996662|0.118669|7.889482|14.104171|15.314259|53.358707|
|2.466709|2.706567|3.232989|3.204360|2.671173|16.788981|2.403233|3.707246|4.448203|4.898443|4.621619|5.076723|0.134918|7.491413|0.197921|13.336622|8.020565|9.300641|9.176866|36.858105|
|2.285482|2.442159|2.827706|2.752336|2.354041|15.205021|2.132151|3.064981|3.730768|4.033198|3.622305|3.928156|0.106863|5.332958|0.151007|7.419557|5.604177|7.184999|7.331312|16.720972|53.358707|
|3.106697|3.760027|4.670954|5.238490|4.278487|24.506473|3.796073|6.196832|6.905872|6.767069|5.889657|7.363655|0.152329|12.471122|0.249856|7.434816|5.447940|8.954799|5.498975|5.787619|6.238776|36.858105|
|2.580933|3.065504|3.638849|4.223955|3.705703|21.125679|3.572882|5.133987|6.544848|6.909056|5.636305|5.721314|0.121991|7.479841|0.156515|6.252815|5.302937|9.076708|5.567818|5.028939|5.604599|13.766172|36.858105|
|2.385332|2.791159|3.152778|3.627415|3.415654|20.050862|3.444119|4.075919|5.391786|5.449418|4.116198|4.148089|0.093999|4.956665|0.116499|4.328619|3.856613|6.738443|4.385517|3.838528|4.592211|7.825963|13.613411|36.858105|
|2.564523|2.984420|3.265229|3.661000|3.560413|21.715525|3.529297|3.805679|4.853910|4.625716|3.479048|3.728795|0.086890|4.451918|0.112373|3.724970|3.234216|5.603979|3.732621|3.435184|4.231907|6.922794|8.084192|13.957703|36.858105|
|3.077624|3.612110|3.947062|4.260595|4.057256|25.437108|3.742671|4.178866|4.990586|4.577735|3.532738|4.084889|0.095964|5.063086|0.135618|3.934263|3.264487|5.570324|3.709838|3.651237|4.488232|8.038733|6.995378|7.950536|13.802762|36.858105|
|3.518250|4.242387|4.989441|5.258609|4.533854|27.617361|3.889541|5.253848|5.795608|5.286874|4.298188|5.440771|0.124359|7.561113|0.207679|5.105523|3.955691|6.609106|4.303891|4.552274|5.351423|13.556459|7.900206|6.752842|7.930309|13.961076|36.858105|
|3.059702|3.457932|3.539362|3.669218|3.682768|24.990231|3.424221|3.414874|4.146063|3.768837|2.858220|3.266064|0.080061|3.834129|0.107493|3.125680|2.664259|4.570746|3.124084|2.999987|3.820314|5.182480|4.688680|5.404834|8.543494|14.044234|7.765965|73.516695|
|2.558490|2.865500|2.913808|3.106762|3.214013|21.575560|3.183328|2.968929|3.772119|3.482647|2.579254|2.814480|0.069173|3.191916|0.086795|2.723271|2.403644|4.181265|2.872962|2.615822|3.360443|4.206573|4.223577|5.357683|8.599576|8.598351|5.360709|24.045968|36.858105|
|2.336178|2.651880|2.789812|3.066567|3.108202|19.817573|3.164666|3.084861|4.018935|3.813845|2.812051|2.969129|0.071572|3.393576|0.088612|2.953732|2.637451|4.601993|3.146673|2.804694|3.564197|4.658054|5.196621|7.750832|14.050278|8.542283|5.400143|14.916855|13.522170|73.516695|
|17.555103|8.860950|5.832839|4.334985|4.311160|43.749116|3.309687|3.329619|3.808363|3.270386|2.490945|3.052227|0.085954|3.050721|0.095982|2.503863|2.209528|3.896394|2.631351|2.364576|3.019481|3.008620|2.518256|2.376451|2.612984|3.175019|3.525472|5.830365|2.718648|4.302979|0.500000|
|17.555687|8.861800|5.844596|4.343901|4.316376|43.691802|3.312886|3.335823|3.874243|3.301532|2.484642|3.004213|0.087364|2.831284|0.087195|2.368911|2.148681|3.866817|2.573915|2.199307|2.788062|2.687784|2.294387|2.137333|2.274481|2.654996|2.964650|4.711635|2.281172|3.731894|0.301801|0.500000|
|17.581035|8.946975|7.044204|4.626484|4.132032|36.256243|3.125363|3.649050|4.059827|3.531553|2.763063|3.491669|0.103814|3.419878|0.111562|2.815226|2.472299|4.329255|2.930191|2.644185|3.349040|3.135887|2.574595|2.341722|2.487272|2.981040|3.491195|5.183989|2.429441|3.991609|0.301433|0.301477|0.500000|
|6.649365|8.974890|17.722642|8.552908|5.700790|37.926056|4.001870|6.685896|6.370391|5.350401|4.405058|6.577901|0.205969|5.821765|0.196967|4.246391|3.614298|6.430356|4.005564|3.634831|4.298450|4.707026|3.594249|3.037257|3.090493|3.713138|4.835194|5.857194|2.712303|4.668602|0.146272|0.146892|0.205474|0.500000|
|3.217139|4.224822|4.468237|6.294647|8.900887|39.811942|17.580575|5.640259|8.752656|6.086029|3.735090|3.907201|0.098305|3.228358|0.084166|2.670992|2.612496|5.280660|3.037098|2.265620|2.739141|3.340077|3.197576|3.041830|3.026964|3.144888|3.303295|5.121177|2.713493|4.863049|0.082582|0.086377|0.080399|0.102467|0.500000|
|3.393057|4.411773|4.290396|5.566001|8.892752|48.042849|17.578816|4.569980|6.329057|4.793487|3.131618|3.393729|0.085008|3.040144|0.081103|2.490530|2.363420|4.583528|2.767478|2.172719|2.664554|3.326983|3.165539|3.169379|3.353728|3.547616|3.532094|6.053230|3.239614|5.573597|0.091101|0.089800|0.082222|0.096754|0.300691|0.500000|
|3.150278|4.155249|4.552149|6.699313|8.915019|37.483945|17.609386|6.385516|9.663893|6.753618|4.178025|4.398468|0.103353|3.819642|0.096608|3.054496|2.919639|5.830291|3.325242|2.565417|3.072948|4.314337|4.232519|4.133852|4.140213|4.216505|4.294061|6.598140|3.511047|6.449592|0.083346|0.081061|0.079667|0.105085|0.303537|0.300264|0.500000|
|1.969375|2.156843|2.524150|2.602991|2.238075|13.916224|2.102318|3.103437|4.052652|4.836256|4.442418|4.037041|0.109895|4.574246|0.112910|7.185509|9.416340|10.844294|26.044624|7.542836|8.807510|3.826284|3.861320|3.113652|2.682400|2.669815|3.068701|4.030559|2.086030|4.053214|0.052052|0.050373|0.057706|0.076474|0.056865|0.052807|0.062511|0.500000|
|1.905219|2.119430|2.488456|2.654912|2.297249|13.966770|2.205089|3.274138|4.503506|5.758956|5.198831|4.161077|0.111929|4.203521|0.100196|5.857727|9.496941|14.595271|26.046354|5.037845|5.791957|3.571902|3.749013|3.040412|2.571456|2.510727|2.843665|3.794325|1.993887|3.904442|0.049952|0.049271|0.055088|0.073943|0.060755|0.054834|0.065976|0.312307|0.500000|
|2.360975|2.775196|3.303540|3.833094|3.347065|19.080406|3.283223|4.885133|6.595700|7.755328|6.484345|5.729500|0.123238|6.917131|0.141118|6.823945|6.468557|11.303112|6.680767|5.217455|5.697782|8.927416|17.743958|8.959030|5.731865|5.017477|5.624928|6.596256|3.450621|7.423712|0.063326|0.059123|0.065903|0.092113|0.084418|0.080348|0.107107|0.125010|0.126886|0.500000|
|2.115297|2.442069|2.719419|3.118913|2.995110|17.774742|3.117280|3.514469|4.852812|5.052213|3.713164|3.557851|0.082559|4.045601|0.096286|3.762608|3.533601|6.277908|4.170681|3.393456|4.139203|5.589326|8.806918|17.749323|8.932969|5.644938|4.891766|7.764938|4.646797|12.151893|0.058509|0.053405|0.057656|0.072952|0.078240|0.080657|0.103659|0.082438|0.082311|0.214750|0.500000|
|4.218305|5.034821|5.883426|5.528007|4.655754|30.285946|3.760311|5.066387|5.389151|4.818688|3.942857|5.235902|0.127187|6.980659|0.227604|4.731997|3.656603|6.077230|4.036534|4.352657|5.224949|8.776202|5.612417|4.891606|5.646939|8.970802|17.744098|12.252006|4.669593|7.781574|0.118334|0.095089|0.117898|0.161428|0.089171|0.095734|0.109668|0.080315|0.073737|0.123369|0.106522|0.500000|
|2.579571|2.909127|2.895856|3.130836|3.375751|22.922388|3.442691|2.929890|3.772754|3.416687|2.478516|2.689754|0.066420|2.935761|0.079740|2.496116|2.240906|3.972044|2.683934|2.362755|3.021301|3.743635|3.755108|4.624320|6.653683|6.653844|4.628812|16.565491|17.594954|16.564315|0.076354|0.064537|0.066824|0.073411|0.080543|0.100653|0.104814|0.053691|0.052160|0.087317|0.115063|0.115684|0.500000|
|2.350158|2.557790|2.575625|2.681048|2.749641|18.941914|2.708300|2.570991|3.277380|3.072857|2.292500|2.484890|0.062136|2.826617|0.077890|2.481869|2.199707|3.786158|2.674291|2.444521|3.205418|3.582042|3.594857|4.420924|6.325510|6.323896|4.422347|16.592078|17.665259|16.590994|0.069934|0.058622|0.062535|0.067646|0.065498|0.076849|0.081414|0.054498|0.051593|0.084095|0.111024|0.111474|0.297202|0.500000|
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