Version2.4
2021-07-06T12:38:18Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
27-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)cccc2CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc3ccccc3[N+](=O)[O-] C03878230
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)cccc2CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc3ccccc3[N+](=O)[O-]
C01[X(C21H17Cl3N4O3S1)]
141
C1
530
O=C(N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1ccccc1[N+](=O)[O-])Cc1cccc2c1cccc2
O=C(N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1ccccc1[N+](=O)[O-])Cc1cccc2c1cccc2
[O-][N+](=O)c1ccccc1NC(=S)N[C@H](NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl
InChIKey=MTLKOGKIJBHDPZ-IBGZPJMESA-N
InChI=1S/C21H17Cl3N4O3S/c22-21(23,24)19(27-20(32)25-16-10-3-4-11-17(16)28(30)31)26-18(29)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19H,12H2,(H,26,29)(H2,25,27,32)/t19-/m0/s1
InChI=1/C21H17Cl3N4O3S/c22-21(23,24)19(27-20(32)25-16-10-3-4-11-17(16)28(30)31)26-18(29)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19H,12H2,(H,26,29)(H2,25,27,32)/t19-/m0/s1/f/h25-27H
c1ccc2c(c1)cccc2CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc3ccccc3[N+](=O)[O-]
C01[X(C21H17Cl3N4O3S1)]
141
C01
530
O=C(N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1ccccc1[N+](=O)[O-])Cc1cccc2c1cccc2
O=C(C[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2)N[C@H](C(Cl)(Cl)Cl)N[C](S)N[C]1[CH][CH][CH][CH][C]1[N]([O])[O]
[O]N([O])[C]1[CH][CH][CH][CH][C]1N[C](S)N[C@H](NC(=O)CC2=CC=C[C]3C=CC=C[C]23)C(Cl)(Cl)Cl
InChIKey=OLYOTSASTCHBQE-IBGZPJMESA-N
InChI=1S/C21H18Cl3N4O3S/c22-21(23,24)19(27-20(32)25-16-10-3-4-11-17(16)28(30)31)26-18(29)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19,25,27,32H,12H2,(H,26,29)/t19-/m0/s1
InChI=1/C21H18Cl3N4O3S/c22-21(23,24)19(27-20(32)25-16-10-3-4-11-17(16)28(30)31)26-18(29)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19,25,27,32H,12H2,(H,26,29)/t19-/m0/s1/f/h26H
3842.5784174942
-3023.3625205
1-A
22620.5363
131
399
530
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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9.10322
-1.3566 -3.3729 6.0050
7.0198
|XX|YY|ZZ|XY|XZ|YZ|
-193.3903 -202.6550 -219.8028 22.8344 -7.3720 -1.7956
|XX|YY|ZZ|XY|XZ|YZ|
11.8924 2.6277 -14.5201 22.8344 -7.3720 -1.7956
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
11.8737 -43.9050 6.5975 -23.7189 -163.8210 17.6663 -29.9896 34.7090 1.3877 30.9216
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22128.1290 -5323.9374 -965.7369 1224.3332 -520.7866 166.8746 5.7968 0.1973 4.0797 -4471.2798 -4469.6271 -1105.2080 148.6516 -100.0568 -36.8626
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.3275 12.1813 14.1494 26.2676 38.0962 41.2629 45.0658 53.6898 70.5948 74.4688 90.9694 98.7845 115.6720 150.6895 172.3177 186.3869 191.4442 203.2902 216.9722 219.5197 235.6738 269.6640 293.2632 304.5325 306.0270 322.6739 326.2893 342.2512 375.4581 428.0478 435.6977 438.0656 464.1000 465.1812 473.8891 484.5021 494.9727 519.7608 543.5978 552.8072 566.9949 576.0324 589.3756 597.4244 617.7539 620.4280 636.7297 667.1361 691.2769 695.0472 716.2655 742.7546 760.9604 770.9017 796.4551 822.5128 823.3642 834.7313 853.0929 856.2482 880.0151 899.2590 901.1058 915.2623 934.1432 953.8474 969.4135 978.9471 987.2324 1000.4955 1027.9911 1045.2548 1056.8284 1081.2880 1088.8237 1101.5760 1110.2461 1122.2917 1133.1395 1139.7074 1145.8011 1149.0535 1166.6107 1193.5856 1219.3595 1226.5950 1237.6794 1261.5334 1274.8965 1275.3745 1291.7696 1303.8913 1308.0437 1328.2630 1338.1150 1362.0848 1375.7490 1385.3152 1394.5972 1437.7150 1455.7193 1467.2337 1479.2618 1492.8695 1500.0465 1532.9674 1551.7184 1606.2019 1611.5054 1621.5665 1628.3728 1630.1327 1655.4376 1683.7108 1686.6596 1716.2676 1743.9060 1790.8354 1796.1236 1806.0021 1810.6501 1840.6051 1863.5563 2001.1682 3216.2605 3253.5270 3353.6822 3355.1131 3356.4327 3364.7033 3366.9303 3382.1039 3382.5516 3385.2710 3394.9817 3400.8153 3435.8557 3441.9842 3834.2226 3847.3301 3879.6415
7.4400 6.1406 9.0634 8.6905 9.6333 10.3450 9.4163 10.5932 8.7847 7.5816 10.6409 10.0213 7.1057 5.1648 6.4378 7.5922 4.8169 11.9406 14.3888 7.1997 8.1457 8.0766 3.9282 5.9074 6.5581 7.8049 12.0302 5.9513 6.4235 6.9305 1.3262 4.4346 3.3575 3.0382 3.7470 1.7246 4.7027 3.2759 4.6517 5.9932 3.4649 4.6750 4.9975 3.7307 2.6616 2.8381 3.1788 5.0080 3.4820 5.9258 6.6852 6.2566 4.4312 4.6616 5.8285 3.0584 1.4150 3.9942 1.8739 5.2126 2.0423 2.9561 1.7431 8.0545 7.1234 2.9096 10.5488 1.9507 3.1632 1.9085 1.8242 1.9170 4.5572 4.1289 1.3374 1.3642 1.3412 1.3318 1.3537 5.4623 2.3087 2.5069 3.5069 3.2514 2.5171 2.4787 2.6368 3.3214 1.6812 1.9187 1.1926 2.3354 1.3728 1.6188 1.2443 2.4033 1.7147 1.9032 1.9560 2.7380 1.8950 3.2899 1.8501 2.5998 1.4062 1.6333 1.9109 1.8650 2.4954 1.1760 4.3911 2.1700 3.0081 1.6804 3.0183 2.0473 1.7208 6.6523 4.6546 2.9004 4.8844 5.7575 8.6260 10.1103 1.0621 1.1025 1.0876 1.0884 1.0873 1.0920 1.0914 1.0957 1.0900 1.0979 1.0963 1.0955 1.0948 1.0947 1.0773 1.0766 1.0788
0.0003 0.0005 0.0011 0.0035 0.0082 0.0104 0.0113 0.0180 0.0258 0.0248 0.0519 0.0576 0.0560 0.0691 0.1126 0.1554 0.1040 0.2907 0.3991 0.2044 0.2666 0.3460 0.1990 0.3228 0.3619 0.4788 0.7546 0.4107 0.5335 0.7482 0.1483 0.5014 0.4261 0.3874 0.4958 0.2385 0.6788 0.5214 0.8099 1.0791 0.6563 0.9140 1.0228 0.7845 0.5984 0.6437 0.7593 1.3132 0.9803 1.6866 2.0208 2.0337 1.5118 1.6322 2.1784 1.2191 0.5652 1.6397 0.8035 2.2517 0.9319 1.4085 0.8339 3.9754 3.6624 1.5597 5.8408 1.1014 1.8164 1.1256 1.1358 1.2340 2.9989 2.8443 0.9342 0.9753 0.9741 0.9883 1.0241 4.1803 1.7858 1.9501 2.8121 2.7292 2.2051 2.1972 2.3798 3.1144 1.6099 1.8387 1.1725 2.3393 1.3839 1.6827 1.3127 2.6271 1.9121 2.1519 2.2414 3.3345 2.3660 4.1729 2.3852 3.4138 1.8643 2.2615 2.7110 2.8348 3.8182 1.8219 6.8601 3.3974 4.8570 2.8066 5.0590 3.5531 3.0834 12.5700 8.8472 5.5738 9.4348 11.4922 17.6499 23.8550 6.4734 6.8761 7.2072 7.2187 7.2171 7.2842 7.2896 7.3847 7.3478 7.4134 7.4448 7.4649 7.6144 7.6415 9.3313 9.3891 9.5668
0.0439 0.1638 0.3105 0.4722 0.1587 2.8888 2.8582 1.3902 0.9019 2.8704 0.7315 7.3031 5.8508 0.4746 1.2722 1.0687 1.2779 0.5280 2.9173 1.8969 5.5957 2.1542 3.9087 1.2560 11.1399 10.6335 1.0605 3.7513 0.3047 1.1966 24.5453 13.5803 3.3653 2.5305 2.5415 88.2681 63.9876 0.8358 29.7621 7.6937 22.1015 30.7773 6.9393 30.7709 26.4863 30.8602 5.6903 4.5488 3.7568 10.6697 22.2157 41.7942 55.7745 5.3638 23.3845 115.3847 7.8990 9.3403 44.1389 4.1804 113.0744 7.0552 9.7117 85.4401 82.6065 0.9815 32.9844 5.1435 67.0312 20.4370 2.8207 5.6895 12.5107 2.6190 0.9967 2.7091 1.5622 0.1330 0.0736 29.3267 2.9256 6.6475 0.6800 11.6537 57.0915 49.6403 37.9628 15.6226 6.1698 5.3534 2.7924 389.2321 27.1785 30.6998 9.9594 9.9078 30.4195 318.0375 10.4865 107.0590 140.0751 2.3538 268.1708 4.5264 7.0565 28.2839 18.3458 3.3576 53.0502 12.1603 229.5142 0.9463 89.5249 791.7509 41.5914 532.6322 89.9592 0.4223 132.8336 41.9576 10.2011 0.2713 392.4074 179.5565 24.8512 9.9146 0.9009 14.5388 0.5495 9.7376 24.8581 52.2927 4.1258 41.2290 20.9499 14.7825 1.0632 0.9701 56.7348 153.5627 37.4665
1.2562 2.1416 1.2169 3.8327 3.3738 0.7516 9.4539 1.7371 3.7268 4.3421 0.6056 0.8009 1.8821 3.4130 1.8714 1.0944 0.4684 3.0938 2.0387 0.3928 0.4323 4.5019 1.5167 0.7031 1.5793 5.8396 1.9567 1.2609 0.7554 2.1101 3.4288 7.7074 2.2563 2.7306 2.3754 2.4266 5.2848 0.0382 5.6166 5.0514 1.0095 7.9952 1.5748 1.3711 2.1031 4.9919 3.6549 0.6050 0.9586 1.8369 4.0455 10.1768 1.9297 9.4943 16.1931 2.2965 7.9944 2.7732 1.1244 0.4837 5.4294 1.5010 3.6176 7.2487 7.2769 1.8729 8.0997 1.7301 9.6570 2.9842 4.2200 3.4316 5.8364 4.9460 0.5717 1.4457 1.1298 1.6170 0.2412 8.1359 3.2332 35.2507 6.1057 2.7478 10.2543 14.9917 10.8648 6.6983 11.4847 11.3112 8.2529 6.0956 3.2913 4.2838 13.5431 26.6825 3.9874 10.1608 7.7451 20.9202 12.1139 87.7336 12.1241 128.4216 39.0207 3.2495 3.0985 34.9356 15.4113 11.7666 89.9306 7.6524 13.5285 10.6773 5.7753 10.1761 15.2675 118.5322 52.1831 29.0317 6.5232 1.7031 13.7316 4.7550 62.8307 35.2472 34.5839 22.9247 31.9217 81.1670 151.5045 89.7982 67.3257 245.6989 226.6467 162.4300 85.3688 80.4829 22.1502 94.9675 26.9128
0.7484 0.7479 0.7269 0.7482 0.6857 0.6884 0.6656 0.7003 0.7497 0.7202 0.7423 0.6048 0.6822 0.6944 0.6667 0.6631 0.5836 0.6878 0.7363 0.7317 0.7457 0.7288 0.6436 0.6147 0.5466 0.6406 0.7496 0.5311 0.4271 0.1850 0.1158 0.0760 0.7448 0.4817 0.2396 0.7390 0.4327 0.7053 0.7274 0.1786 0.4965 0.4156 0.3950 0.6798 0.3360 0.4576 0.5462 0.7186 0.2663 0.3523 0.6856 0.1302 0.1580 0.2129 0.0663 0.7054 0.4984 0.2808 0.6402 0.7496 0.5054 0.5812 0.4486 0.5551 0.2478 0.5292 0.1408 0.6040 0.7230 0.6448 0.3752 0.1795 0.3154 0.2019 0.6848 0.5849 0.5593 0.7488 0.6683 0.4174 0.2653 0.1178 0.1435 0.5160 0.4086 0.4516 0.6794 0.6319 0.4172 0.3794 0.5812 0.5908 0.1687 0.2698 0.3455 0.1564 0.7278 0.3378 0.3965 0.1460 0.2092 0.1517 0.7136 0.1373 0.2146 0.3264 0.2275 0.3761 0.1541 0.7180 0.1457 0.4409 0.6026 0.7442 0.3313 0.4519 0.5641 0.4620 0.7316 0.4601 0.6076 0.5930 0.3221 0.7260 0.0537 0.7252 0.7486 0.0579 0.4926 0.7195 0.7420 0.4019 0.7225 0.1364 0.1121 0.2691 0.2218 0.1865 0.4801 0.1009 0.1735
0.8561 0.8558 0.8418 0.8560 0.8136 0.8155 0.7992 0.8238 0.8569 0.8373 0.8521 0.7538 0.8111 0.8196 0.8000 0.7974 0.7370 0.8150 0.8481 0.8451 0.8543 0.8431 0.7832 0.7614 0.7069 0.7809 0.8569 0.6938 0.5986 0.3122 0.2076 0.1413 0.8537 0.6502 0.3866 0.8499 0.6040 0.8272 0.8422 0.3031 0.6635 0.5872 0.5663 0.8094 0.5030 0.6279 0.7065 0.8363 0.4207 0.5211 0.8135 0.2304 0.2730 0.3511 0.1244 0.8273 0.6652 0.4385 0.7806 0.8569 0.6714 0.7351 0.6194 0.7139 0.3972 0.6921 0.2468 0.7531 0.8393 0.7840 0.5457 0.3043 0.4796 0.3359 0.8129 0.7381 0.7174 0.8564 0.8012 0.5890 0.4193 0.2108 0.2510 0.6807 0.5802 0.6223 0.8091 0.7745 0.5888 0.5501 0.7352 0.7428 0.2886 0.4250 0.5135 0.2705 0.8424 0.5050 0.5679 0.2548 0.3460 0.2634 0.8329 0.2415 0.3534 0.4921 0.3707 0.5466 0.2670 0.8359 0.2544 0.6120 0.7520 0.8534 0.4977 0.6225 0.7213 0.6320 0.8450 0.6302 0.7559 0.7445 0.4873 0.8413 0.1020 0.8407 0.8562 0.1094 0.6601 0.8369 0.8519 0.5733 0.8389 0.2400 0.2017 0.4241 0.3630 0.3143 0.6487 0.1833 0.2957
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
6 6 6 6 6 6 6 6 6 6 6 6 8 7 6 1 6 17 17 17 7 6 16 7 6 6 6 6 6 6 7 8 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 34.96885 34.96885 34.96885 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 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 1.00783 1.00783
8945.3510 34519.6718 41246.0508
1.00000 0.00271 -0.00038 -0.00271 0.99999 0.00300 0.00039 -0.00300 1.00000
1
0.00968 0.00251 0.00210
0.20175 0.05228 0.04376
11.98 17.53 20.36 37.79 54.81 59.37 64.84 77.25 101.57 107.14 130.88 142.13 166.43 216.81 247.93 268.17 275.45 292.49 312.17 315.84 339.08 387.99 421.94 438.15 440.30 464.26 469.46 492.42 540.20 615.87 626.87 630.28 667.74 669.29 681.82 697.09 712.16 747.82 782.12 795.37 815.78 828.78 847.98 859.56 888.81 892.66 916.11 959.86 994.59 1000.02 1030.55 1068.66 1094.85 1109.16 1145.92 1183.41 1184.64 1200.99 1227.41 1231.95 1266.15 1293.83 1296.49 1316.86 1344.02 1372.37 1394.77 1408.49 1420.41 1439.49 1479.05 1503.89 1520.54 1555.73 1566.57 1584.92 1597.40 1614.73 1630.33 1639.78 1648.55 1653.23 1678.49 1717.30 1754.39 1764.80 1780.74 1815.07 1834.29 1834.98 1858.57 1876.01 1881.98 1911.07 1925.25 1959.74 1979.40 1993.16 2006.51 2068.55 2094.46 2111.02 2128.33 2147.91 2158.23 2205.60 2232.58 2310.97 2318.60 2333.07 2342.87 2345.40 2381.81 2422.48 2426.73 2469.33 2509.09 2576.61 2584.22 2598.43 2605.12 2648.22 2681.24 2879.23 4627.48 4681.10 4825.20 4827.26 4829.16 4841.06 4844.26 4866.09 4866.74 4870.65 4884.62 4893.01 4943.43 4952.25 5516.59 5535.45 5581.94
0.384940
0.412264
0.413208
0.320411
-3022.977581
-3022.950257
-3022.949312
-3023.042110
3.112460D-04
MUNgauss
RevisionA2.1
retrievium
06-Jul-2021
DUDE c1ccc2c(c1)cccc2CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc3ccccc3[N+](=O)[O-] C03878230
RHF
6-31G(d)
(6D,10F)
C1
510.008696
|X|Y|Z|
132.940566 64.862722 27.205409
61.674076
23
|36.858105|
|13.482834|36.858105|
|7.915096|14.010262|36.858105|
|6.774304|7.861896|13.402380|36.858105|
|7.880007|6.823627|7.842430|13.504298|36.858105|
|14.025336|7.944945|6.859125|7.797421|13.425380|36.858105|
|5.127462|4.522086|5.103359|7.786512|13.406954|7.705192|36.858105|
|3.947057|3.784660|4.510161|6.795258|7.907440|5.139089|14.065028|36.858105|
|3.785961|3.941436|5.110031|7.903357|6.843688|4.533033|7.937980|13.457206|36.858105|
|4.488553|5.086395|7.600330|13.298756|7.775964|5.083037|6.789057|7.864444|14.012742|36.858105|
|3.658795|4.386794|6.386213|7.436692|4.956570|3.806518|4.413267|5.009599|7.671813|12.606665|36.858105|
|3.386869|4.110516|5.644200|5.789228|4.164822|3.405927|3.696542|4.035636|5.472250|7.474900|12.512934|36.858105|
|3.338237|3.902052|5.082543|5.413465|4.153091|3.414641|3.770314|4.105062|5.318524|6.598052|7.944845|16.002221|73.516695|
|2.986126|3.669921|4.720519|4.405386|3.347895|2.896653|2.973158|3.163987|4.017065|5.114255|7.840120|13.852575|15.055189|53.358707|
|2.571203|3.066880|3.675774|3.438635|2.781456|2.483400|2.522491|2.662449|3.224474|3.823213|5.051443|7.769443|12.152724|18.116136|36.858105|
|2.527898|2.948040|3.509015|3.397696|2.797466|2.481466|2.578041|2.744356|3.306724|3.814732|4.807020|7.627124|14.333889|12.704202|17.687692|0.500000|
|2.588940|3.125620|3.565439|3.157451|2.609798|2.421356|2.320700|2.368575|2.757104|3.271234|3.991540|5.484038|9.173510|10.480870|12.219884|0.247728|36.858105|
|3.141049|3.879439|4.322382|3.657199|3.024247|2.862972|2.604311|2.576330|2.936484|3.556605|4.034287|5.486672|10.002074|8.482171|6.999184|0.184221|10.820518|448.794386|
|2.142237|2.478427|2.718849|2.491388|2.152510|2.026906|1.965050|2.008812|2.276612|2.577804|2.997608|3.850837|6.898760|6.444875|6.988423|0.185020|10.748639|53.109803|448.794386|
|2.497700|3.050842|3.395277|2.916147|2.424389|2.290922|2.140232|2.161809|2.490837|2.960233|3.603738|4.363089|6.836104|8.259828|6.929321|0.143812|10.643003|52.963712|52.744557|448.794386|
|2.192337|2.554972|2.985959|2.847694|2.370635|2.133030|2.199393|2.343926|2.804581|3.192080|4.150271|5.420071|8.509265|10.891459|13.212442|0.255374|7.822332|38.252815|50.623954|49.918141|53.358707|
|1.992006|2.265621|2.633486|2.604410|2.211818|1.975104|2.106094|2.287271|2.732859|2.987236|3.803874|4.692464|7.664951|8.042008|7.679990|0.198935|5.165716|29.729715|38.426147|34.736645|19.191793|36.858105|
|2.019911|2.255230|2.645681|2.731070|2.341656|2.050504|2.286512|2.550538|3.083202|3.243179|4.043125|4.976093|8.691817|7.276342|6.141692|0.192012|4.200238|27.301961|31.261383|27.279263|9.759031|11.432931|388.023441|
|1.772671|1.996676|2.272159|2.235113|1.933988|1.751679|1.850931|1.995244|2.333239|2.514399|3.098154|3.578315|5.875533|5.935531|5.258094|0.134570|4.168729|24.695115|33.254563|31.003188|11.594042|13.996838|50.197005|53.358707|
|1.595985|1.767912|1.990913|1.989021|1.753500|1.591592|1.704993|1.848010|2.131961|2.237869|2.675448|2.973332|4.988011|4.632338|3.868781|0.104035|3.207474|20.316376|26.203392|24.159228|7.205564|7.678863|42.344179|18.444081|36.858105|
|1.578788|1.734404|1.962983|1.997957|1.770110|1.592455|1.744756|1.917422|2.219547|2.284311|2.718465|2.915917|4.873096|4.372988|3.441051|0.093773|2.815481|18.560428|22.160294|21.293541|5.967410|6.122845|41.308634|10.671533|13.702622|36.858105|
|1.428285|1.549976|1.732915|1.772910|1.597183|1.446432|1.589655|1.743603|1.981537|2.006484|2.317800|2.439250|4.142897|3.561734|2.766460|0.076413|2.348973|15.965184|18.794289|17.920566|4.547351|4.287197|30.654421|7.015177|7.901938|13.807684|36.858105|
|1.320128|1.427738|1.577446|1.600303|1.453115|1.330282|1.441961|1.564031|1.753327|1.781120|2.027927|2.152312|3.698447|3.152567|2.492890|0.069064|2.185458|14.904909|18.031866|16.756443|4.064279|3.690361|25.544168|6.152785|6.782833|7.913616|13.732793|36.858105|
|1.328025|1.443812|1.589028|1.593010|1.441626|1.327740|1.417211|1.523509|1.706585|1.755880|2.006261|2.170336|3.739368|3.238143|2.634727|0.072663|2.348070|15.731347|19.961239|18.009423|4.385050|3.950933|25.719530|6.958862|7.827244|6.884923|7.993993|13.842508|36.858105|
|1.447554|1.590793|1.762588|1.751997|1.566248|1.439075|1.524958|1.636662|1.853385|1.935181|2.252574|2.489655|4.255998|3.818994|3.204444|0.087274|2.819557|18.222192|24.196937|21.484950|5.633858|5.272050|31.201973|10.575729|13.630511|8.001603|6.946292|7.964958|13.724549|36.858105|
|1.422438|1.567231|1.718714|1.684440|1.508823|1.401064|1.456154|1.543646|1.734167|1.829146|2.112587|2.365285|4.071842|3.672217|3.165594|0.085659|2.927735|18.705581|26.538035|22.504091|5.508280|4.713124|26.858007|8.886685|7.624873|5.093254|4.539138|5.162349|7.893300|13.077654|53.358707|
|1.325224|1.448444|1.574126|1.546036|1.399167|1.306812|1.355638|1.431812|1.591049|1.666094|1.891516|2.106248|3.676868|3.204717|2.733933|0.075304|2.584904|17.022212|23.854674|19.757385|4.522199|3.760125|22.916021|6.418408|5.424041|4.113739|3.936594|4.709467|7.108223|8.397378|21.828747|73.516695|
|1.498529|1.667043|1.827995|1.767434|1.570773|1.463299|1.499960|1.580047|1.781609|1.906605|2.223453|2.512435|4.273966|4.011694|3.526042|0.092504|3.344384|20.639239|30.722205|26.410648|6.330359|5.068782|26.732076|9.687743|6.747643|4.558339|3.881175|4.113461|5.509079|8.328317|21.559342|16.056804|73.516695|
|17.717937|8.824838|5.647101|4.900684|5.609911|8.999591|4.153073|3.294126|3.132176|3.581294|3.046184|2.881222|5.081456|3.555151|2.306631|0.062995|2.363559|22.916569|16.034267|18.531846|2.713611|1.816210|13.008561|2.224306|1.479027|1.458705|1.327865|1.235610|1.245975|1.353148|1.819884|2.225639|2.503965|0.500000|
|8.830752|17.716266|9.015937|5.607072|4.926275|5.660152|3.602563|3.130344|3.287995|4.126351|3.837088|3.743374|6.278438|4.808912|3.027485|0.079610|3.213836|32.392019|20.460588|26.055190|3.453366|2.220332|15.379484|2.688795|1.741441|1.691742|1.511864|1.401588|1.427035|1.576790|2.134598|2.578604|2.987358|0.213578|0.500000|
|5.644854|9.068962|17.742597|8.791725|5.592640|4.947133|4.135215|3.908701|4.651464|6.932865|7.236337|6.767011|9.921305|8.174018|4.409502|0.112163|4.288286|41.100930|24.819292|33.384567|4.748781|2.979815|20.695130|3.463583|2.186176|2.133788|1.858977|1.687493|1.709881|1.918645|2.552947|3.026739|3.583885|0.124495|0.219102|0.500000|
|8.999825|5.635946|4.943911|5.587552|8.850288|17.705668|7.105431|4.727308|3.954634|4.141499|3.201558|2.901979|5.236115|3.410296|2.194728|0.061331|2.144031|20.073541|14.739123|16.312662|2.606086|1.793100|13.301603|2.184156|1.472616|1.478131|1.354310|1.250619|1.245462|1.340632|1.776799|2.176402|2.411993|0.216245|0.124154|0.107410|0.500000|
|4.715580|3.946322|4.155833|5.580299|8.831859|7.091514|17.707943|9.001561|5.630000|4.907565|3.532820|3.073290|5.621464|3.476134|2.221349|0.063182|2.074068|18.661342|14.372322|15.459413|2.670123|1.888279|14.523524|2.285390|1.559993|1.595985|1.468236|1.340921|1.317551|1.408453|1.836338|2.246555|2.463147|0.111863|0.089923|0.095647|0.216437|0.500000|
|3.291918|3.130473|3.595147|4.912000|5.618259|4.155577|9.007775|17.719951|8.833234|5.633377|4.105951|3.439253|6.282389|3.784386|2.400574|0.069171|2.136892|18.375704|14.862173|15.689744|2.934580|2.139920|17.157930|2.567434|1.772500|1.855815|1.707426|1.532841|1.482962|1.578187|2.017005|2.455415|2.675712|0.079046|0.074068|0.089210|0.111932|0.215937|0.500000|
|3.129691|3.284315|4.131786|5.618495|4.936620|3.609419|5.668805|8.858202|17.712071|9.027400|7.141804|5.278630|9.072872|5.401554|3.234994|0.092863|2.692591|22.207448|18.110329|19.460695|3.932845|2.900455|24.056513|3.363865|2.283869|2.422942|2.162423|1.888630|1.817897|1.966529|2.469006|2.950740|3.285084|0.074073|0.078818|0.110128|0.090114|0.124321|0.215150|0.500000|
|3.083855|3.536317|4.725478|5.544359|4.165273|3.260556|3.995934|4.799923|7.445987|8.933491|17.542148|9.098478|11.763306|9.096619|4.682997|0.125833|3.590805|27.748720|22.593623|26.201142|5.627104|4.018707|31.753369|4.462469|2.880018|3.015221|2.556952|2.192652|2.135466|2.384775|2.979033|3.469121|4.045787|0.073111|0.087743|0.143107|0.078750|0.090903|0.114758|0.230796|0.500000|
|3.702478|4.604266|6.692681|6.789959|4.595261|3.705332|3.957615|4.264091|5.866345|8.851720|17.545667|8.855321|10.525177|10.278717|4.818752|0.120053|3.987386|31.740601|23.651037|31.136262|5.558817|3.638055|25.786379|4.153106|2.617372|2.639361|2.251587|1.979403|1.966741|2.212636|2.843940|3.313906|3.954150|0.086170|0.114604|0.230362|0.086238|0.090162|0.098887|0.150950|0.304378|0.500000|
|2.872638|3.532334|4.499191|4.162616|3.185142|2.774625|2.836906|3.019425|3.819424|4.820990|7.555730|9.313044|10.871427|26.066469|9.169738|0.183184|6.379032|40.758666|33.608773|49.431071|10.262538|5.693332|34.621706|6.056428|3.467857|3.304901|2.677252|2.352263|2.403896|2.833183|3.679316|4.158060|5.289321|0.070177|0.095432|0.160591|0.066896|0.067999|0.074105|0.105698|0.187688|0.235924|0.500000|
|2.106105|2.460955|2.825421|2.643266|2.218419|2.025878|2.046504|2.155084|2.540364|2.894103|3.686602|4.534299|7.081968|8.906362|9.103000|0.181784|7.486852|35.972448|50.321691|58.959029|26.010114|9.443713|38.175488|11.082229|5.095192|4.117917|3.194803|2.912672|3.195725|4.134855|5.723430|6.059791|9.114740|0.053660|0.068979|0.092061|0.050644|0.051056|0.055164|0.072031|0.101002|0.104830|0.188317|0.500000|
|1.736167|1.962709|2.207583|2.135157|1.852903|1.698098|1.758155|1.871132|2.164839|2.354052|2.867286|3.309118|5.439190|5.585092|5.051168|0.125438|4.335022|25.007887|36.003376|33.740782|11.035458|9.475794|38.205530|26.012931|9.439147|5.897712|4.339992|4.057838|4.801923|7.313463|10.035192|9.086042|17.204383|0.044725|0.054563|0.068976|0.043228|0.044487|0.049005|0.062781|0.082312|0.079824|0.117203|0.256603|0.500000|
|1.693590|1.866479|2.140517|2.200662|1.931698|1.717507|1.908874|2.122483|2.499143|2.566930|3.115763|3.288809|5.394361|4.889533|3.704026|0.100339|2.931884|19.453970|22.181486|22.110992|6.322700|6.505645|46.982954|9.832285|8.970006|17.806800|8.947666|5.644100|4.965182|5.683462|5.620573|6.073450|6.950147|0.043160|0.050196|0.064787|0.044090|0.048130|0.056919|0.076875|0.098750|0.083548|0.103878|0.118032|0.149501|0.500000|
|1.406183|1.516197|1.695319|1.752010|1.588168|1.433621|1.595297|1.761542|1.995337|1.992828|2.278496|2.346877|3.986790|3.357593|2.542912|0.070498|2.162406|14.992830|17.044635|16.546920|4.052291|3.708447|27.743388|5.699941|5.644155|8.982734|17.729840|8.910817|5.671595|4.991046|4.919135|5.748116|5.680276|0.036294|0.040877|0.050140|0.037411|0.041012|0.048291|0.061030|0.070601|0.061322|0.070292|0.078757|0.099677|0.216911|0.500000|
|1.236078|1.327772|1.457900|1.483256|1.358684|1.248444|1.354960|1.467211|1.628775|1.642208|1.843848|1.936751|3.346118|2.801115|2.190742|0.060931|1.947220|13.515853|16.068404|14.996981|3.481251|3.064371|21.657286|4.903610|4.907086|5.633904|8.881693|17.744345|8.953434|5.658608|5.710645|7.206303|6.104516|0.032247|0.036194|0.043023|0.032761|0.035191|0.040177|0.048677|0.055242|0.050018|0.057986|0.069512|0.092008|0.124105|0.213891|0.500000|
|1.248767|1.352343|1.475761|1.474222|1.343072|1.245667|1.319722|1.409668|1.564401|1.608657|1.816800|1.962743|3.404806|2.914354|2.372695|0.065599|2.166828|14.683954|18.728288|16.713365|3.863391|3.344936|21.883987|5.668225|5.617775|4.964063|5.660979|8.911395|17.786939|8.968003|10.076591|14.278134|9.144512|0.032703|0.037260|0.043938|0.032571|0.034250|0.038177|0.045986|0.053212|0.049597|0.059884|0.079036|0.113608|0.107830|0.124209|0.214273|0.500000|
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