Version2.3
2021-03-30T14:19:30Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
16-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(ccc1C(=O)N[C@H](CCC(=O)N)C(=O)OCC(=O)Nc2cc(ccc2C#N)Cl)F C03291356
RHF
6-31G(d)
(6D,7F)
c1cc(ccc1C(=O)N[C@H](CCC(=O)N)C(=O)OCC(=O)Nc2cc(ccc2C#N)Cl)F
C01[X(C21H18Cl1F1N4O5)]
144
C1
520
N#Cc1ccc(cc1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(cc1)F)CCC(=O)N)Cl
N#Cc1ccc(cc1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(cc1)F)CCC(=O)N)Cl
NC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N
InChIKey=RGVCAXNAOICWJD-MRXNPFEDSA-N
InChI=1S/C21H18ClFN4O5/c22-14-4-1-13(10-24)17(9-14)26-19(29)11-32-21(31)16(7-8-18(25)28)27-20(30)12-2-5-15(23)6-3-12/h1-6,9,16H,7-8,11H2,(H2,25,28)(H,26,29)(H,27,30)/t16-/m1/s1
InChI=1/C21H18ClFN4O5/c22-14-4-1-13(10-24)17(9-14)26-19(29)11-32-21(31)16(7-8-18(25)28)27-20(30)12-2-5-15(23)6-3-12/h1-6,9,16H,7-8,11H2,(H2,25,28)(H,26,29)(H,27,30)/t16-/m1/s1/f/h26-27H,25H2
c1cc(ccc1C(=O)N[C@H](CCC(=O)N)C(=O)OCC(=O)Nc2cc(ccc2C#N)Cl)F
C01[X(C21H18Cl1F1N4O5)]
144
C01
520
N#Cc1ccc(cc1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(cc1)F)CCC(=O)N)Cl
N#C[C]1[CH][CH][C]([CH][C]1NC(=O)COC(=O)[C@H](NC(=O)[C]1[CH][CH][C]([CH][CH]1)F)CCC(=O)N)Cl
NC(=O)CC[C@@H](NC(=O)[C]1[CH][CH][C](F)[CH][CH]1)C(=O)OCC(=O)N[C]2[CH][C](Cl)[CH][CH][C]2C#N
InChIKey=RGVCAXNAOICWJD-MRXNPFEDSA-N
InChI=1S/C21H18ClFN4O5/c22-14-4-1-13(10-24)17(9-14)26-19(29)11-32-21(31)16(7-8-18(25)28)27-20(30)12-2-5-15(23)6-3-12/h1-6,9,16H,7-8,11H2,(H2,25,28)(H,26,29)(H,27,30)/t16-/m1/s1
InChI=1/C21H18ClFN4O5/c22-14-4-1-13(10-24)17(9-14)26-19(29)11-32-21(31)16(7-8-18(25)28)27-20(30)12-2-5-15(23)6-3-12/h1-6,9,16H,7-8,11H2,(H2,25,28)(H,26,29)(H,27,30)/t16-/m1/s1/f/h26-27H,25H2
3013.7672351723
-1956.8250507
1-A
28060.3063
119
401
520
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11.28665
-0.3837 -0.2906 -0.9900
1.1008
|XX|YY|ZZ|XY|XZ|YZ|
-164.9277 -195.5317 -204.9576 13.2197 1.4486 0.1094
|XX|YY|ZZ|XY|XZ|YZ|
23.5446 -7.0593 -16.4853 13.2197 1.4486 0.1094
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-248.0896 177.3165 -44.6649 123.2446 35.5053 8.4149 89.8465 -10.9134 -85.5774 -50.6572
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-29013.0527 -4326.7122 -1876.3709 848.3079 -119.3956 248.2623 8.5124 91.1829 42.2936 -6074.7032 -5444.7232 -1346.9315 184.2382 170.9993 -356.0143
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
3.1692 9.2648 19.9205 22.4440 24.6563 30.5934 40.5714 48.2891 57.8053 67.5101 79.3640 87.2067 92.2146 96.5734 106.1436 116.6518 126.6534 151.9634 165.1462 173.2938 195.3883 222.5125 241.7681 250.7878 260.9753 279.2043 288.0808 329.7490 342.6266 352.3943 375.2802 379.7517 412.0171 432.7689 463.9152 467.6618 475.8613 483.4201 499.5390 541.9767 566.0065 582.2167 583.2349 587.4974 595.6265 633.2529 647.4892 651.7436 662.6042 664.1549 682.3896 683.5765 687.7986 695.8736 749.2847 765.6643 803.2769 816.0124 832.5534 853.8852 858.4884 871.2776 901.4932 931.1971 933.0455 944.7468 963.2233 966.0393 995.1042 1033.6133 1037.1149 1058.2013 1084.6340 1094.5554 1097.0676 1112.3549 1115.0788 1124.7557 1154.9392 1178.4386 1182.7410 1193.0519 1198.1469 1211.1056 1218.7604 1226.2819 1264.2534 1277.9630 1283.7297 1301.1931 1302.3389 1310.3276 1321.8620 1364.2458 1379.0965 1388.1099 1396.2220 1408.0653 1421.5067 1422.7619 1444.5434 1450.4846 1469.9635 1516.7156 1527.6759 1564.8389 1570.5743 1582.7724 1586.5094 1611.5035 1635.4126 1641.2013 1645.9062 1688.5607 1719.4551 1721.7843 1778.5853 1785.9433 1796.7429 1810.9389 1816.5903 1929.0443 1972.9614 2000.6998 2021.5356 2590.3679 3225.8946 3242.7173 3250.3351 3264.0439 3290.6508 3298.9993 3303.7129 3384.1512 3395.4442 3399.9373 3406.8755 3419.4568 3420.2115 3480.8735 3837.6853 3838.8891 3879.1332 3966.8250
11.3774 8.0422 7.8396 9.4481 7.3342 4.4335 10.4227 5.9547 8.6175 6.8016 8.6987 3.2186 3.0666 9.6964 8.9023 3.0715 10.0994 7.3774 3.9564 9.6786 1.1964 4.7562 5.5468 8.3424 5.7251 6.0321 8.8153 7.4706 6.8938 8.6558 11.7373 14.5717 6.9165 7.1704 4.0336 3.4277 3.4832 4.3114 3.1546 1.3164 3.0500 1.6966 2.5692 1.9135 2.7658 3.7812 2.6563 3.8674 6.5059 4.3368 2.1307 4.0664 4.8584 6.6968 6.0830 3.9570 5.7545 4.5946 5.7121 3.9459 4.9758 1.9521 5.9837 1.3731 1.2593 3.1086 2.1776 3.6328 6.4915 1.4060 2.6498 4.5656 1.3652 1.3442 4.6811 1.8913 1.6709 2.1572 3.3650 3.9693 2.6178 1.6504 2.8849 2.0757 2.4922 3.8632 5.5627 2.3275 1.2882 1.9862 3.3672 2.4303 1.6987 1.4921 2.4227 2.1507 3.3725 1.0913 1.9767 1.6297 1.3048 1.3419 1.6595 1.4141 2.2732 2.9398 3.2903 1.7264 1.8778 1.1122 1.1198 2.3223 1.1058 2.2802 2.6412 2.3865 3.5164 6.8050 1.2330 3.3209 5.5854 9.8861 9.6206 12.0778 9.3908 12.6994 1.0641 1.0646 1.0586 1.0994 1.0909 1.1079 1.0980 1.0903 1.0919 1.0919 1.0961 1.0967 1.0953 1.0936 1.0467 1.0786 1.0778 1.1059
0.0001 0.0004 0.0018 0.0028 0.0026 0.0024 0.0101 0.0082 0.0170 0.0183 0.0323 0.0144 0.0154 0.0533 0.0591 0.0246 0.0955 0.1004 0.0636 0.1712 0.0269 0.1387 0.1910 0.3091 0.2297 0.2771 0.4310 0.4786 0.4768 0.6333 0.9739 1.2381 0.6918 0.7912 0.5115 0.4417 0.4647 0.5936 0.4638 0.2278 0.5757 0.3388 0.5149 0.3891 0.5781 0.8934 0.6561 0.9679 1.6829 1.1271 0.5846 1.1195 1.3541 1.9106 2.0122 1.3668 2.1877 1.8025 2.3327 1.6951 2.1606 0.8731 2.8651 0.7015 0.6459 1.6347 1.1904 1.9975 3.7873 0.8850 1.6793 3.0122 0.9463 0.9488 3.3195 1.3788 1.2240 1.6079 2.6446 3.2477 2.1576 1.3840 2.4401 1.7938 2.1811 3.4228 5.2384 2.2396 1.2507 1.9814 3.3648 2.4585 1.7488 1.6362 2.7148 2.4416 3.8736 1.2748 2.3534 1.9437 1.6042 1.6634 2.1127 1.9166 3.1257 4.2414 4.7819 2.5481 2.7848 1.7017 1.7645 3.6855 1.7650 3.8305 4.6008 4.1684 6.5539 12.7884 2.3452 6.4168 10.8597 21.6751 22.0644 28.4842 22.6108 50.2061 6.5243 6.5953 6.5895 6.9014 6.9599 7.1043 7.0610 7.3567 7.4171 7.4367 7.4959 7.5552 7.5488 7.8068 9.0830 9.3651 9.5557 10.2530
0.0173 0.0508 4.1614 0.9397 0.2523 0.9632 3.3436 1.8070 0.1998 3.5312 1.7496 4.3424 7.2878 2.8941 3.3359 1.4642 6.0907 5.7020 1.3740 12.2507 283.5785 15.9468 1.3018 5.0964 4.2540 0.4398 21.9438 14.9728 14.0899 6.8970 3.2225 0.4752 3.8874 10.2002 9.1106 5.3432 3.5389 5.8191 14.0282 4.8579 3.1066 26.9805 103.2452 51.1175 9.8060 44.8057 11.1604 21.7550 0.9883 31.6449 16.7201 19.8413 5.3531 0.1690 47.4123 13.1233 20.5605 7.4227 12.2554 20.0170 45.8738 17.4849 5.1138 32.4703 1.7840 7.2103 37.5962 40.4978 54.5601 32.4249 3.4970 7.3792 0.5688 0.4428 4.9722 4.5823 0.4009 0.6752 2.6876 39.2318 0.6740 9.0560 10.9697 1.1123 63.5055 27.9361 34.0858 21.7204 96.9315 9.8935 4.6125 480.0134 3.4984 195.8441 284.2608 248.5093 25.5816 9.4307 22.0057 62.2435 2.4452 69.7631 386.3044 60.8842 451.4448 15.6349 46.0706 171.4787 60.7260 14.4204 18.9417 33.8820 3.0404 266.4380 314.7566 79.2824 430.2237 15.3480 148.5526 158.7654 142.9613 306.5079 384.8516 326.6743 149.9316 70.0527 9.0338 18.6490 19.6369 5.6992 2.1428 9.4493 24.8325 10.1729 2.1301 3.0402 3.9524 0.7704 1.7062 16.4561 63.6397 48.1960 60.6190 54.9799
3.9281 1.7558 1.4765 0.6753 2.4291 6.4162 0.1975 2.7948 1.1657 1.0805 0.8621 1.2296 0.6182 0.2211 0.7634 0.5620 0.5419 0.6906 0.2262 3.1369 0.7113 0.6225 0.7823 0.4454 1.1174 0.7891 1.4548 3.9029 1.1635 0.5044 4.1580 4.6628 2.5372 0.7637 0.3615 0.0965 1.9480 0.9108 0.5839 4.1346 0.2435 2.4781 0.9551 6.2199 1.7591 0.9700 1.3921 1.5087 5.6483 1.0743 0.7591 0.5291 1.3555 7.0926 3.1812 0.1581 4.1943 1.7687 8.8048 1.8735 3.2835 0.7710 22.8515 1.2412 2.3274 5.4264 2.1672 5.5487 8.8484 1.3552 7.3897 2.9142 0.9538 1.4299 22.6157 0.1897 0.2474 0.6754 9.2854 2.4206 6.2133 3.9695 22.0638 13.3567 6.8256 10.5794 6.4952 11.5266 4.5182 7.7660 3.3980 10.2645 0.8961 7.3756 54.4214 2.3551 7.5770 11.2568 8.8248 13.2281 1.2790 7.2922 13.8735 6.3977 4.5658 3.0562 4.7663 3.7307 2.3761 9.4766 6.1615 21.2566 7.0094 1.7199 8.4865 6.8723 52.3687 5.1491 4.5452 85.3331 67.9043 25.0123 4.7235 4.0474 15.9882 292.7478 73.1957 41.9044 63.9179 89.7754 21.6227 29.4562 35.0396 39.5127 66.4430 101.0397 110.8210 136.5451 91.8868 36.3908 102.8326 47.0312 24.6810 52.9299
0.7499 0.7492 0.7479 0.7499 0.7499 0.7495 0.7471 0.7487 0.7476 0.7470 0.7455 0.7500 0.7428 0.7474 0.4712 0.7217 0.2743 0.2543 0.7261 0.5762 0.5540 0.5448 0.7395 0.2411 0.3294 0.7489 0.5049 0.7259 0.4353 0.6696 0.4699 0.2099 0.6773 0.4453 0.6621 0.7477 0.7496 0.6647 0.2925 0.7443 0.7322 0.3933 0.4219 0.7444 0.7483 0.7012 0.5338 0.3450 0.5771 0.7484 0.3719 0.7280 0.5960 0.7500 0.2095 0.1369 0.1797 0.7422 0.0477 0.4127 0.5506 0.5543 0.0740 0.7500 0.7131 0.5785 0.2164 0.3074 0.2937 0.7494 0.2310 0.7474 0.7492 0.7470 0.0944 0.4984 0.5616 0.2453 0.1464 0.6458 0.7499 0.7485 0.0924 0.1195 0.7443 0.6450 0.6534 0.3491 0.5913 0.1678 0.2116 0.2354 0.3793 0.1470 0.1238 0.6127 0.1300 0.7338 0.3050 0.2234 0.7455 0.6633 0.6782 0.7349 0.6178 0.3790 0.7032 0.3812 0.7107 0.7479 0.7129 0.1630 0.6356 0.6615 0.4701 0.3767 0.6009 0.5717 0.7430 0.6404 0.5237 0.2013 0.5757 0.7038 0.1962 0.2746 0.0872 0.1225 0.0418 0.5549 0.6184 0.7475 0.2383 0.6347 0.4851 0.4297 0.2015 0.2146 0.1607 0.2329 0.1590 0.1154 0.1043 0.7109
0.8571 0.8566 0.8557 0.8571 0.8571 0.8568 0.8552 0.8563 0.8556 0.8552 0.8542 0.8571 0.8524 0.8555 0.6406 0.8384 0.4305 0.4055 0.8413 0.7311 0.7130 0.7053 0.8503 0.3885 0.4955 0.8564 0.6710 0.8412 0.6066 0.8021 0.6394 0.3470 0.8076 0.6162 0.7967 0.8556 0.8569 0.7985 0.4526 0.8534 0.8454 0.5646 0.5935 0.8535 0.8561 0.8244 0.6961 0.5131 0.7318 0.8561 0.5422 0.8426 0.7469 0.8571 0.3464 0.2409 0.3047 0.8520 0.0910 0.5843 0.7102 0.7132 0.1378 0.8571 0.8325 0.7330 0.3558 0.4702 0.4540 0.8568 0.3754 0.8554 0.8567 0.8552 0.1724 0.6653 0.7192 0.3939 0.2555 0.7848 0.8571 0.8562 0.1693 0.2134 0.8534 0.7842 0.7904 0.5176 0.7432 0.2874 0.3492 0.3811 0.5500 0.2563 0.2204 0.7599 0.2301 0.8465 0.4674 0.3653 0.8542 0.7976 0.8082 0.8472 0.7638 0.5497 0.8258 0.5520 0.8309 0.8558 0.8324 0.2803 0.7772 0.7963 0.6396 0.5472 0.7507 0.7275 0.8525 0.7808 0.6874 0.3351 0.7307 0.8262 0.3281 0.4309 0.1605 0.2183 0.0803 0.7137 0.7642 0.8555 0.3849 0.7766 0.6533 0.6011 0.3354 0.3534 0.2769 0.3778 0.2744 0.2069 0.1889 0.8310
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
6 6 6 6 6 6 6 8 7 6 1 6 6 6 8 7 6 8 8 6 6 8 7 6 6 6 6 6 6 6 7 17 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 34.96885 18.99840 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
9343.2955 46790.8214 51394.1953
0.99997 0.00780 -0.00195 -0.00779 0.99996 0.00478 0.00199 -0.00477 0.99999
1
0.00927 0.00185 0.00169
0.19316 0.03857 0.03512
4.56 13.33 28.66 32.29 35.47 44.02 58.37 69.48 83.17 97.13 114.19 125.47 132.68 138.95 152.72 167.84 182.23 218.64 237.61 249.33 281.12 320.15 347.85 360.83 375.49 401.71 414.48 474.44 492.96 507.02 539.94 546.38 592.80 622.66 667.47 672.86 684.66 695.53 718.73 779.78 814.36 837.68 839.14 845.28 856.97 911.11 931.59 937.71 953.34 955.57 981.81 983.51 989.59 1001.21 1078.05 1101.62 1155.74 1174.06 1197.86 1228.55 1235.17 1253.57 1297.05 1339.78 1342.44 1359.28 1385.86 1389.92 1431.73 1487.14 1492.18 1522.52 1560.55 1574.82 1578.44 1600.43 1604.35 1618.27 1661.70 1695.51 1701.70 1716.54 1723.87 1742.51 1753.52 1764.35 1818.98 1838.70 1847.00 1872.13 1873.78 1885.27 1901.86 1962.85 1984.21 1997.18 2008.85 2025.89 2045.23 2047.04 2078.38 2086.92 2114.95 2182.22 2197.98 2251.45 2259.71 2277.26 2282.63 2318.59 2352.99 2361.32 2368.09 2429.46 2473.91 2477.26 2558.99 2569.57 2585.11 2605.54 2613.67 2775.46 2838.65 2878.56 2908.54 3726.96 4641.34 4665.55 4676.51 4696.23 4734.51 4746.52 4753.31 4869.04 4885.29 4891.75 4901.73 4919.84 4920.92 5008.20 5521.57 5523.31 5581.21 5707.38
0.401581
0.430800
0.431744
0.331938
-1956.423470
-1956.394251
-1956.393307
-1956.493113
3.347510D-04
MUNgauss
RevisionA2.1
retrievium
30-Mar-2021
DUDE c1cc(ccc1C(=O)N[C@H](CCC(=O)N)C(=O)OCC(=O)Nc2cc(ccc2C#N)Cl)F C03291356
RHF
6-31G(d)
(6D,10F)
C1
460.094976
|X|Y|Z|
151.175861 61.778419 37.277097
70.348327
20
|36.858105|
|13.766697|36.858105|
|8.025941|13.823835|36.858105|
|6.861984|7.886502|13.807413|36.858105|
|7.942159|6.863688|8.028869|13.791526|36.858105|
|13.698906|7.898510|6.920656|7.900180|13.689044|36.858105|
|7.482713|5.001333|4.482108|5.070615|7.711237|12.708309|36.858105|
|5.287310|4.007464|3.847502|4.566403|6.806875|8.074193|15.822976|73.516695|
|6.556625|4.452570|3.779265|3.952034|5.211497|7.839201|14.042938|15.097035|53.358707|
|4.378510|3.327775|2.947604|3.103820|3.902434|5.028080|7.783595|12.233320|17.916795|36.858105|
|3.932556|3.079980|2.832647|3.081959|3.933434|4.768449|7.515286|14.133137|12.548545|17.620982|0.500000|
|3.722549|2.936099|2.597283|2.684045|3.246877|4.039572|5.567105|9.371206|10.390367|12.374397|0.245410|36.858105|
|3.644742|2.915447|2.630454|2.762078|3.359978|4.064982|5.528775|10.190329|8.489100|7.483507|0.191175|12.498912|36.858105|
|2.972694|2.489684|2.261155|2.332185|2.717183|3.162730|3.889841|7.091251|5.819802|4.887643|0.126720|7.553970|12.546124|36.858105|
|2.708704|2.299873|2.074615|2.107307|2.410490|2.800611|3.350954|5.932019|5.186963|4.424071|0.111686|6.860989|7.954233|15.886215|73.516695|
|2.731288|2.346404|2.174501|2.259614|2.599216|2.922726|3.460978|6.508744|4.844024|3.839039|0.104103|5.085765|7.872568|14.056403|15.133976|53.358707|
|3.793870|3.015134|2.667078|2.743655|3.290934|4.073600|5.344883|8.365245|10.823641|12.559671|0.249859|7.643819|4.930315|3.800616|6.608639|4.172384|36.858105|
|4.011336|3.214147|2.783875|2.788476|3.262867|4.070810|4.894302|7.303339|9.653960|7.925431|0.169394|5.666146|4.033261|3.261012|5.754455|3.673908|16.013277|73.516695|
|3.022310|2.503480|2.274174|2.359160|2.777079|3.260785|4.138014|7.011466|7.278736|8.104524|0.209351|6.460930|4.416020|3.599948|6.409053|3.985003|14.412157|15.300308|73.516695|
|2.630313|2.248001|2.052043|2.101130|2.402491|2.756101|3.282645|5.532575|5.502754|5.202424|0.136155|4.525724|3.376398|2.928593|5.351532|3.338450|8.196766|12.874174|24.162769|36.858105|
|2.217424|1.933196|1.798087|1.856779|2.103446|2.344575|2.761145|4.834187|4.383076|4.060230|0.113436|3.772397|3.000842|2.697039|4.952983|3.138603|5.284363|8.224456|14.315162|12.517134|36.858105|
|2.154467|1.877449|1.763800|1.843345|2.102352|2.318459|2.768219|4.991804|4.291802|4.044373|0.118791|3.825585|3.132137|2.818120|5.110584|3.302818|4.822371|7.173695|12.844915|7.968433|16.029702|73.516695|
|1.978154|1.756698|1.638205|1.675687|1.864042|2.055643|2.346549|4.078892|3.663455|3.213359|0.088406|3.046254|2.504184|2.312062|4.291457|2.737967|4.052913|6.814091|9.461702|7.955604|13.890833|14.900159|53.358707|
|1.733887|1.560323|1.469882|1.506394|1.660259|1.802586|2.031589|3.577060|3.092643|2.653987|0.074147|2.565341|2.189161|2.062230|3.826214|2.489025|3.158231|5.326199|6.993877|5.067510|7.644381|11.582730|18.560362|36.858105|
|1.647679|1.484915|1.410453|1.457452|1.609771|1.731315|1.960768|3.514711|2.936155|2.529815|0.072270|2.473958|2.160504|2.050739|3.780308|2.501856|2.890369|4.756153|6.385379|4.234380|6.324208|11.795260|10.568409|13.688264|36.858105|
|1.472284|1.341284|1.281524|1.322251|1.446677|1.540676|1.720862|3.092688|2.540691|2.141450|0.061125|2.110680|1.886506|1.814848|3.342811|2.249060|2.389522|3.990301|5.066771|3.250193|4.340626|8.044317|7.018502|7.967936|13.789706|36.858105|
|1.384352|1.271011|1.213706|1.244041|1.349283|1.434706|1.581736|2.817878|2.333481|1.933455|0.054529|1.903868|1.705604|1.647913|3.045601|2.049987|2.165846|3.695483|4.480190|2.905444|3.663979|6.421440|6.167331|6.782726|7.843927|13.752492|36.858105|
|1.434244|1.317212|1.250876|1.274084|1.378715|1.474575|1.618503|2.850554|2.410097|1.987831|0.055347|1.945309|1.720298|1.654573|3.070751|2.043810|2.272424|3.944448|4.678167|3.138152|3.879938|6.397576|7.040342|7.849913|6.851161|8.044603|13.836302|36.858105|
|1.596034|1.453525|1.370657|1.394162|1.518045|1.639787|1.813735|3.170471|2.741379|2.287846|0.063218|2.219194|1.920036|1.826824|3.398882|2.226733|2.693884|4.689623|5.664279|4.010677|5.127322|7.870785|10.801643|13.585320|7.926081|6.960145|7.924577|13.707779|36.858105|
|1.635600|1.495076|1.400962|1.411719|1.527968|1.659026|1.814886|3.126373|2.764071|2.270201|0.061624|2.187408|1.878293|1.782078|3.324382|2.165878|2.719181|4.893847|5.550609|4.016302|4.613723|6.765865|9.348087|7.749550|5.116681|4.560316|5.129169|7.789341|13.225749|36.858105|
|1.658239|1.522674|1.420345|1.420027|1.527941|1.663774|1.801079|3.070072|2.752109|2.225027|0.059662|2.135566|1.831028|1.735297|3.239359|2.108809|2.679976|4.954834|5.309783|3.819729|4.048613|5.921303|7.520091|5.486241|3.968730|3.584899|3.956799|5.446029|7.392217|16.749092|53.358707|
|1.378971|1.260789|1.214142|1.260588|1.378110|1.453175|1.622150|2.956572|2.356233|1.975426|0.057167|1.964534|1.801403|1.748391|3.194327|2.200688|2.132329|3.524959|4.446261|2.706854|3.453206|6.782994|5.048380|4.786338|7.098521|10.974028|7.073536|4.804508|4.258964|3.221574|3.677994|448.794386|
|5.319906|8.183703|14.367580|8.176366|5.321054|4.670802|3.416453|5.419314|4.089202|2.451653|0.065772|2.208457|2.236512|1.974134|3.257790|2.610098|2.269595|4.225966|3.513330|1.815799|1.610623|2.805633|2.022464|1.345528|1.292166|1.183392|1.127510|1.162325|1.265600|1.296747|1.794645|9.021513|97.533100|
|17.733945|8.995538|5.701572|4.948115|5.636578|8.866240|6.835805|8.594979|9.812087|4.761776|0.112498|4.146892|3.914397|3.206793|5.280099|3.906448|4.185424|8.068498|5.778937|2.824596|2.340382|3.998712|2.840922|1.813821|1.710162|1.521516|1.432541|1.491715|1.669698|1.721270|2.385113|11.359903|9.651318|0.500000|
|8.855118|17.748221|8.959449|5.638349|4.949994|5.613878|4.059090|5.934946|5.232143|2.988079|0.076074|2.707526|2.663677|2.334722|3.898944|2.994568|2.782063|5.353424|4.148237|2.131240|1.836252|3.148601|2.296759|1.503071|1.424183|1.291436|1.231160|1.280856|1.411273|1.461339|2.038184|9.718514|16.737303|0.215128|0.500000|
|4.948892|5.639458|8.956342|17.746195|8.860162|5.613483|4.123279|6.993485|4.497622|2.713963|0.076136|2.379474|2.463925|2.116187|3.410783|2.826461|2.430133|4.361650|3.798921|1.923079|1.725178|3.060770|2.132277|1.421199|1.382475|1.262120|1.189102|1.213514|1.319625|1.331964|1.820014|9.716873|16.728309|0.107490|0.124572|0.500000|
|5.660727|4.950674|5.683115|8.924484|17.759963|8.954575|7.250526|13.639558|6.591270|3.859444|0.113505|3.202550|3.369047|2.711380|4.236960|3.567660|3.218371|5.514437|4.947943|2.392228|2.127674|3.834530|2.550770|1.678001|1.642643|1.476901|1.369542|1.390057|1.525620|1.521554|2.056110|11.379906|9.613733|0.124169|0.107533|0.212588|0.500000|
|7.294550|4.866837|3.935875|3.923995|4.911816|7.407003|9.368770|10.906871|26.055486|9.169285|0.185456|6.200621|4.962857|3.718222|6.140289|4.256819|7.828870|15.034015|9.057527|4.080352|3.161745|5.343920|3.671194|2.262077|2.113107|1.832415|1.700506|1.775328|2.029061|2.079557|2.854213|13.498523|7.053711|0.246569|0.118971|0.090379|0.121479|0.500000|
|3.098432|2.531460|2.280108|2.361893|2.802951|3.344797|4.398346|7.739141|7.614491|8.859135|0.212223|17.599339|8.893282|6.954327|12.420664|6.491714|7.133406|9.214570|12.980553|5.033465|4.370685|8.093455|4.666271|2.872345|2.794971|2.349508|2.089850|2.122745|2.434466|2.361328|3.093789|17.512863|4.439602|0.094164|0.065551|0.059158|0.077972|0.134222|0.500000|
|3.803583|3.010638|2.597982|2.609884|3.080447|3.882422|4.964625|7.886262|9.469853|8.832578|0.173748|17.569382|8.876811|6.918559|12.562776|6.423746|6.970677|10.326934|10.084981|4.318173|3.525273|6.122474|4.007301|2.476324|2.347703|2.018031|1.846150|1.907199|2.179541|2.185918|2.942946|14.937187|5.000306|0.123322|0.078723|0.063936|0.082177|0.175899|0.303652|0.500000|
|4.330787|3.376963|3.007259|3.149462|3.884032|4.851906|6.551160|11.569440|9.405022|6.794969|0.169518|8.805987|17.560702|8.979562|11.082760|9.668032|4.524835|6.932410|6.880601|3.049259|2.677624|4.885416|3.099767|1.999381|1.960125|1.727595|1.578001|1.598747|1.777524|1.756539|2.351473|13.237061|5.654876|0.128999|0.084583|0.076717|0.105875|0.150853|0.173592|0.211564|0.500000|
|3.382217|2.749768|2.553289|2.753661|3.389910|3.935208|5.447189|11.268541|7.648196|6.865570|0.207027|8.819778|17.541632|8.917354|10.869530|9.781372|4.588957|6.589562|7.640515|3.278085|2.999273|5.730672|3.378040|2.191506|2.198499|1.921679|1.721879|1.719392|1.908183|1.844368|2.427420|14.923708|4.897023|0.097072|0.069065|0.069171|0.098009|0.122823|0.210929|0.173502|0.305044|0.500000|
|2.801871|2.411772|2.268649|2.396348|2.779686|3.071366|3.642816|7.105368|4.872590|3.774350|0.105558|4.686865|7.388907|9.235837|10.823136|26.104377|2.965885|4.644789|5.010185|2.355334|2.218749|4.174994|2.631097|1.762670|1.779271|1.603730|1.460374|1.451803|1.577172|1.531392|2.028250|12.671332|4.483876|0.080006|0.062084|0.061443|0.079015|0.086163|0.120140|0.117317|0.199453|0.212194|0.500000|
|2.421605|2.121455|1.974661|2.035959|2.298638|2.549341|2.936617|5.464850|4.123027|3.255847|0.088253|4.197746|5.711369|9.409794|13.713839|26.058590|2.711708|4.307951|4.677056|2.256766|2.151096|4.018831|2.589491|1.748242|1.763563|1.599268|1.462977|1.454849|1.574304|1.529483|2.026201|12.629835|3.972146|0.070706|0.055899|0.052422|0.064246|0.075730|0.113544|0.111911|0.145690|0.147865|0.309933|0.500000|
|2.674397|2.304650|2.113994|2.164466|2.460841|2.798552|3.260340|5.439096|5.360224|4.738096|0.126033|3.912047|3.033516|2.613846|4.700291|3.041053|7.330454|13.164576|16.528239|17.592953|8.892734|11.184265|9.522642|4.706585|3.897501|3.071184|2.801158|3.061103|3.894380|4.023997|5.331992|20.546695|4.215607|0.078908|0.060626|0.055111|0.067908|0.113229|0.114677|0.104413|0.078249|0.082507|0.060315|0.057139|0.500000|
|2.583649|2.220410|2.002195|2.017138|2.277913|2.633789|3.070424|5.084370|5.206342|4.738015|0.118007|4.401047|3.266292|2.911956|5.463977|3.297224|7.199525|12.644943|16.552238|17.594647|8.829378|10.783260|9.930926|4.792933|3.895866|3.072068|2.821044|3.111794|3.997871|4.201567|5.616792|20.410593|4.008874|0.078531|0.059281|0.051146|0.062149|0.110290|0.134795|0.123940|0.082523|0.085594|0.063788|0.062432|0.302152|0.500000|
|2.008603|1.790060|1.658711|1.680969|1.857639|2.058715|2.319654|3.967875|3.650857|3.133120|0.084238|2.952368|2.414562|2.229891|4.154850|2.639049|4.040507|7.135576|8.939827|7.835151|9.420550|10.864472|26.005219|9.367573|5.756491|4.305679|4.063661|4.894889|7.602971|8.229500|9.585137|25.580672|3.393200|0.059261|0.048075|0.043530|0.051391|0.076162|0.090289|0.081098|0.061754|0.065579|0.051663|0.050974|0.205801|0.226008|0.500000|
|1.725975|1.544720|1.469587|1.529241|1.703690|1.833233|2.105161|3.817468|3.146167|2.761560|0.080287|2.705069|2.365232|2.231720|4.085928|2.715314|3.110695|4.978367|7.043314|4.469822|6.940214|15.384375|9.569507|8.900592|17.851899|8.939905|5.621349|4.951284|5.639161|4.147000|4.623690|54.353849|3.013244|0.049634|0.040906|0.040261|0.048611|0.062047|0.086205|0.069965|0.058940|0.067696|0.053764|0.052924|0.111521|0.110284|0.143516|0.500000|
|1.285341|1.186928|1.137733|1.165865|1.258321|1.330432|1.457240|2.602345|2.132501|1.749767|0.049407|1.729426|1.568757|1.524929|2.812878|1.913763|1.933091|3.308856|3.934165|2.498234|3.046401|5.405712|4.914282|4.909156|5.611300|8.895584|17.770324|8.906614|5.632898|4.156846|4.604647|53.945476|2.388624|0.036838|0.031990|0.031070|0.035505|0.043144|0.052379|0.046661|0.040500|0.044059|0.037948|0.038102|0.067307|0.067673|0.092142|0.124037|0.500000|
|1.358415|1.255950|1.193569|1.210532|1.301186|1.387945|1.508745|2.647075|2.238464|1.822072|0.050468|1.784618|1.588219|1.533336|2.846649|1.903499|2.071811|3.641951|4.176984|2.771987|3.270043|5.373620|5.724814|5.616721|4.942721|5.686656|8.942977|17.741663|8.945199|7.212497|7.466358|31.710068|2.508100|0.039236|0.034074|0.032085|0.036324|0.046051|0.053550|0.048974|0.041295|0.043928|0.037575|0.037745|0.076056|0.077469|0.116110|0.107529|0.213961|0.500000|
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