Version2.1
2021-01-13T09:00:09Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
09-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CNC(=N)c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4 383748 CHEMBL425819
RHF
6-31G(d)
(6D,7F)
CNC(=N)c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4
C01[X(C23H23Cl1N6O2)]
159
C1
530
CNC(=N)c1cc(C)c2c(c1)[nH]c(n2)c1c(NCC(c2cccc(c2)Cl)O)cc[nH]c1=O
CNC(=N)c1cc(C)c2c(c1)[nH]c(n2)c1c(NCC(c2cccc(c2)Cl)O)cc[nH]c1=O
CNC(=N)c1cc(C)c2nc([nH]c2c1)C3=C(NCC(O)c4cccc(Cl)c4)C=CNC3=O
InChIKey=WGPYWDLNUPWWNN-UHFFFAOYSA-N
InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32)
InChI=1/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32)/f/h25-29H
CNC(=N)c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4
C01[X(C23H23Cl1N6O2)]
159
C01
530
CNC(=N)c1cc(C)c2c(c1)[nH]c(n2)c1c(NCC(c2cccc(c2)Cl)O)cc[nH]c1=O
CNC(=N)[C]1[CH][C]2[C]([C]([CH]1)C)[N][C]([C]1[C](=O)NC=[CH][C]1[NH]C[C@H]([C]1[CH][CH][CH][C]([CH]1)Cl)O)N2
CNC(=N)[C]1[CH][C](C)[C]2[N][C](N[C]2[CH]1)[C]3[C](NC[C@@H](O)[C]4[CH][CH][CH][C](Cl)[CH]4)C=CNC3=O
InChIKey=WGPYWDLNUPWWNN-GOSISDBHSA-N
InChI=1S/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32)/t18-/m1/s1
InChI=1/C23H23ClN6O2/c1-12-8-14(21(25)26-2)10-17-20(12)30-22(29-17)19-16(6-7-27-23(19)32)28-11-18(31)13-4-3-5-15(24)9-13/h3-10,18,31H,11H2,1-2H3,(H2,25,26)(H,29,30)(H2,27,28,32)/t18-/m1/s1/f/h25-29H
3119.0777473124
-1820.3077337
1-A
23444.8834
118
412
530
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9.62241
7.7785 7.0112 -0.8191
10.5040
|XX|YY|ZZ|XY|XZ|YZ|
-216.1055 -180.8462 -189.4396 7.6743 24.3828 0.8341
|XX|YY|ZZ|XY|XZ|YZ|
-20.6417 14.6176 6.0242 7.6743 24.3828 0.8341
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
205.6485 222.7477 -12.2386 94.5689 172.8976 -28.5805 15.6688 -4.4303 -20.9927 -34.9050
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-25253.3172 -5440.7692 -788.9695 -652.6467 1541.6316 118.4630 -67.5474 25.4810 33.2119 -5958.4169 -4075.0990 -1259.6291 199.0200 33.4445 -11.1420
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
12.1618 14.5775 27.6152 34.0674 46.2234 54.9536 67.3373 82.8580 93.9702 102.2827 105.1380 119.8921 152.9541 155.6263 184.7561 189.9420 195.7742 199.1110 211.2596 214.2510 229.2607 247.6053 256.9906 281.9778 291.0432 302.6990 319.9522 340.1324 362.0474 372.8520 407.2301 411.3401 427.3819 446.6282 469.0654 476.7382 509.6546 527.0464 543.3787 552.8114 562.0555 576.3063 597.5457 603.9486 630.4128 653.9784 667.9191 672.3678 698.1426 708.4716 714.9999 734.5391 760.9781 767.0130 777.3295 790.3832 798.1769 825.3476 829.2238 855.4911 861.7771 867.6025 870.1871 893.0305 920.3537 945.8750 967.4627 993.6852 1005.9783 1013.3709 1017.8183 1019.7968 1033.9891 1046.9620 1076.5453 1087.9884 1095.0387 1104.3649 1110.1348 1114.4267 1147.5666 1169.0587 1181.3222 1185.3319 1194.1581 1207.0274 1219.8512 1235.0308 1244.8117 1249.6273 1255.9722 1261.8479 1277.6861 1297.0601 1312.9073 1323.7342 1330.8899 1337.9796 1347.4247 1361.0830 1383.9438 1397.5313 1425.0748 1431.6628 1442.6118 1455.3086 1458.4841 1484.9058 1509.4618 1539.8920 1553.4428 1560.9133 1568.5390 1580.9828 1587.2329 1595.4797 1605.6511 1627.6096 1628.4513 1631.1287 1642.9404 1651.3367 1652.6383 1656.1739 1666.7954 1677.8245 1703.3324 1726.6366 1777.5872 1778.0414 1788.6373 1805.7690 1816.2174 1842.2389 1865.6564 1884.1106 3174.7229 3206.9397 3207.3934 3251.6324 3263.9342 3264.5561 3271.8790 3287.9801 3321.8006 3356.0644 3368.3189 3380.9181 3392.3771 3405.7137 3410.1381 3423.4249 3444.7725 3680.2883 3770.6596 3859.8205 3863.1499 3867.5350 4090.9389
8.5517 5.2924 5.5225 6.5468 5.2902 4.6803 4.2923 5.3685 4.3661 1.3082 2.6725 4.3301 6.2871 3.5796 4.3963 1.6000 4.2988 2.9216 4.1154 4.7978 4.2392 4.4907 4.4092 6.4010 4.3113 3.5863 1.2146 4.0044 4.7988 5.1296 5.3739 5.9135 5.2579 9.7057 4.0308 4.9699 3.7552 4.8416 3.5497 1.4466 4.1912 4.7132 4.5690 4.1413 5.0279 5.9841 1.2891 5.5809 5.0639 1.7547 2.0341 4.7511 3.4248 1.7194 2.6676 3.7485 1.9495 4.8900 3.3069 3.2371 2.3958 6.6213 5.5720 1.4277 4.9769 1.1356 3.9992 2.7370 1.3265 1.8447 2.2700 1.4863 1.3928 6.7873 1.9839 5.9781 1.3053 2.7793 3.4335 1.4574 1.9429 1.5125 5.9645 2.4867 2.7147 1.9797 3.1539 1.9000 2.0783 2.4988 1.3895 3.1113 1.6843 1.6634 1.4983 2.2957 1.4941 1.5694 1.2225 2.7659 3.6056 3.2224 2.4926 1.4667 2.6568 1.3684 1.2568 2.0878 2.2761 1.9674 1.6771 1.7787 1.3193 2.7625 2.8170 2.1305 1.2040 1.1965 2.0453 1.0776 1.2469 1.7991 1.8038 1.9209 1.3622 2.1317 1.7444 4.2740 2.9884 5.1464 3.6284 5.5462 5.9900 3.6960 8.1064 6.6019 1.0715 1.0418 1.0394 1.0883 1.0980 1.0929 1.0988 1.1042 1.1017 1.0895 1.0910 1.0936 1.0929 1.0961 1.0931 1.0921 1.0962 1.0806 1.0757 1.0775 1.0827 1.0796 1.0670
0.0007 0.0007 0.0025 0.0045 0.0067 0.0083 0.0115 0.0217 0.0227 0.0081 0.0174 0.0367 0.0867 0.0511 0.0884 0.0340 0.0971 0.0682 0.1082 0.1298 0.1313 0.1622 0.1716 0.2999 0.2152 0.1936 0.0733 0.2730 0.3706 0.4202 0.5251 0.5895 0.5658 1.1407 0.5225 0.6655 0.5747 0.7924 0.6175 0.2605 0.7801 0.9223 0.9612 0.8900 1.1773 1.5079 0.3388 1.4865 1.4542 0.5189 0.6127 1.5103 1.1685 0.5960 0.9497 1.3797 0.7318 1.9626 1.3397 1.3959 1.0483 2.9365 2.4859 0.6709 2.4838 0.5986 2.2054 1.5923 0.7910 1.1162 1.3855 0.9107 0.8774 4.3834 1.3547 4.1693 0.9222 1.9971 2.4931 1.0664 1.5075 1.2179 4.9041 2.0586 2.2809 1.6994 2.7651 1.7075 1.8974 2.2991 1.2914 2.9188 1.6200 1.6488 1.5216 2.3701 1.5593 1.6553 1.3077 3.0190 4.0688 3.7081 2.9824 1.7712 3.2576 1.7076 1.5751 2.7123 3.0555 2.7487 2.3846 2.5533 1.9124 4.0682 4.1814 3.1953 1.8289 1.8675 3.1956 1.6892 1.9830 2.8905 2.9027 3.1042 2.2297 3.5356 2.9819 7.5074 5.5636 9.5861 6.8393 10.6554 11.6416 7.3906 16.6241 13.8081 6.3628 6.3125 6.3000 6.7794 6.8919 6.8627 6.9304 7.0334 7.1622 7.2298 7.2932 7.3654 7.4103 7.4906 7.4898 7.5413 7.6639 8.6236 9.0107 9.4583 9.5200 9.5146 10.5209
0.5734 0.2273 0.2442 0.5734 1.9316 2.0045 0.1095 0.5278 3.4033 0.0540 1.4865 4.0694 1.0172 2.7293 1.9238 0.3458 3.2533 4.0691 0.3398 0.3128 2.5534 16.1662 7.9091 7.0587 11.7758 61.7103 210.5903 7.1405 0.9535 7.4239 10.5351 3.7443 1.9048 10.0302 10.9587 7.0606 11.9320 18.7857 3.0430 91.7772 12.3120 21.7755 6.1472 2.4591 17.1573 24.6385 59.6527 4.8885 5.0439 38.2611 30.1018 8.1281 57.5474 71.2272 16.6685 11.4938 39.6527 20.8216 11.0750 3.4151 32.4715 98.9369 3.3267 37.1041 14.1059 87.2066 0.4464 26.2031 1.8763 7.5661 24.5392 8.5094 2.1222 0.3744 8.1301 1.8184 0.3390 11.6757 10.9829 2.2031 25.0482 1.8060 44.2413 15.5206 0.2894 12.8206 5.4197 11.9735 6.1748 21.6766 11.4654 69.4342 92.5186 3.9022 20.6151 144.4980 20.5244 9.5805 76.2187 43.3413 27.6539 13.7822 28.1593 89.2711 35.6488 31.4652 14.4898 162.4884 191.5557 87.2301 14.3632 27.4828 3.6575 5.5309 100.4982 57.4235 11.2097 65.0020 296.5286 8.7535 89.8760 79.4979 8.9533 57.7156 49.9703 60.6615 289.0729 329.5215 223.1347 61.3830 259.2289 27.9532 100.2670 430.9826 253.9534 751.2635 58.8830 88.7566 26.5999 25.0927 13.7109 42.3419 53.2224 27.5603 21.2864 12.0000 13.1822 16.1352 4.0791 6.9531 3.7040 0.2510 7.3284 319.1217 2.4761 17.2447 238.1065 123.3039 42.3472
6.7515 3.2147 2.5730 0.2088 1.7919 2.8676 0.4661 2.8698 0.8212 0.2463 1.2791 0.9085 2.1509 0.4386 3.5941 0.5262 0.3440 1.1655 0.5943 1.0454 2.9468 3.1213 2.6942 2.2253 2.8684 0.6764 0.7278 1.7534 1.5800 1.4376 1.2275 2.1468 1.9027 5.9188 3.6475 1.1366 3.4889 2.9429 2.2367 4.9630 5.3173 3.2043 3.7095 1.5824 1.4158 7.8017 1.0910 4.1924 2.7922 0.5473 0.6235 4.9636 4.6106 0.5335 1.9555 2.1375 0.6719 3.7319 0.5122 0.7661 3.2170 12.2351 28.0117 1.1924 4.2153 3.5575 12.4499 9.8694 2.7993 3.3313 2.0302 0.7509 0.9688 17.9840 3.1528 36.9948 1.1616 2.6061 19.9664 3.7629 5.4627 0.8080 6.8825 3.5254 3.2968 2.3405 4.4504 15.6785 23.4838 12.3102 6.2981 10.8984 11.3403 5.8934 1.8541 78.6138 3.3539 3.9445 34.0556 18.2450 116.2656 103.6100 217.6935 7.4144 29.3677 2.0894 13.1699 49.6730 213.8080 19.3969 26.3643 37.1605 13.0113 63.2317 6.4779 6.5259 8.5293 72.7615 194.1432 22.1158 30.6755 103.0350 3.6507 256.5597 90.9976 45.6196 6.9850 1200.7658 40.8853 13.2925 179.5492 29.8381 71.5738 82.0335 88.6292 9.4043 112.6452 51.3098 217.9555 51.4015 73.6946 60.1017 94.3224 65.7315 68.4247 56.4583 75.6898 106.4879 73.5851 158.5327 97.1017 45.6558 135.8265 42.0633 71.3147 43.9219 48.2580 116.4543 30.8386
0.7499 0.7496 0.7498 0.7463 0.7492 0.7230 0.6340 0.7497 0.7129 0.5891 0.5225 0.7491 0.6777 0.6614 0.5724 0.6568 0.7373 0.6929 0.3608 0.6456 0.6417 0.6175 0.4250 0.6010 0.4164 0.6765 0.4733 0.7189 0.3181 0.5574 0.5849 0.5705 0.7299 0.3849 0.3368 0.7378 0.3079 0.4268 0.5240 0.2858 0.2144 0.1581 0.2155 0.7412 0.3328 0.1346 0.7469 0.6823 0.6684 0.7418 0.7436 0.4411 0.3848 0.7495 0.4668 0.3736 0.6880 0.6438 0.2038 0.4530 0.6705 0.6247 0.1842 0.5949 0.2596 0.4577 0.1501 0.1227 0.3107 0.4555 0.7344 0.2632 0.6343 0.1267 0.7450 0.1045 0.7498 0.6860 0.6527 0.6924 0.5318 0.3744 0.6030 0.1189 0.7497 0.6812 0.5084 0.4707 0.1999 0.5311 0.3423 0.2959 0.3410 0.2495 0.3670 0.5446 0.3427 0.2679 0.5630 0.4461 0.3494 0.6059 0.2636 0.4117 0.4015 0.2929 0.4996 0.2738 0.3604 0.7500 0.3993 0.1389 0.2689 0.4899 0.7500 0.7189 0.3766 0.3452 0.2726 0.7246 0.4838 0.2860 0.3883 0.4041 0.5267 0.3884 0.4011 0.3416 0.3507 0.5473 0.3889 0.5427 0.6864 0.3793 0.1933 0.2090 0.1544 0.1345 0.0186 0.7452 0.4908 0.1479 0.5696 0.7438 0.6735 0.5245 0.2915 0.3220 0.3147 0.2052 0.4457 0.2503 0.1902 0.2799 0.3286 0.2777 0.1388 0.3059 0.2762
0.8571 0.8569 0.8570 0.8547 0.8566 0.8392 0.7760 0.8569 0.8324 0.7414 0.6864 0.8566 0.8079 0.7962 0.7281 0.7928 0.8488 0.8186 0.5302 0.7847 0.7818 0.7635 0.5965 0.7508 0.5879 0.8070 0.6425 0.8365 0.4827 0.7158 0.7381 0.7265 0.8439 0.5558 0.5039 0.8491 0.4708 0.5983 0.6876 0.4446 0.3531 0.2731 0.3546 0.8514 0.4994 0.2373 0.8551 0.8111 0.8012 0.8518 0.8529 0.6122 0.5558 0.8568 0.6364 0.5440 0.8152 0.7833 0.3385 0.6236 0.8027 0.7690 0.3111 0.7460 0.4122 0.6280 0.2611 0.2186 0.4741 0.6259 0.8468 0.4167 0.7762 0.2249 0.8539 0.1893 0.8570 0.8138 0.7898 0.8183 0.6943 0.5448 0.7524 0.2126 0.8570 0.8104 0.6741 0.6401 0.3333 0.6938 0.5101 0.4566 0.5086 0.3994 0.5369 0.7052 0.5105 0.4226 0.7204 0.6170 0.5179 0.7546 0.4172 0.5833 0.5729 0.4531 0.6663 0.4300 0.5299 0.8571 0.5708 0.2439 0.4238 0.6576 0.8571 0.8365 0.5471 0.5132 0.4284 0.8403 0.6521 0.4448 0.5594 0.5756 0.6900 0.5595 0.5726 0.5092 0.5193 0.7075 0.5600 0.7035 0.8140 0.5500 0.3240 0.3458 0.2675 0.2371 0.0364 0.8540 0.6584 0.2576 0.7258 0.8531 0.8049 0.6881 0.4514 0.4871 0.4788 0.3406 0.6166 0.4004 0.3196 0.4374 0.4946 0.4347 0.2438 0.4685 0.4328
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
6 7 6 7 6 6 6 6 6 7 6 6 6 7 6 6 8 6 6 6 6 6 17 6 6 6 7 1 6 8 7 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 1.00783 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
9887.5818 34430.7990 42582.9960
0.99984 0.01687 0.00671 -0.01684 0.99985 -0.00416 -0.00678 0.00404 0.99997
1
0.00876 0.00252 0.00203
0.18253 0.05242 0.04238
17.50 20.97 39.73 49.02 66.51 79.07 96.88 119.21 135.20 147.16 151.27 172.50 220.07 223.91 265.82 273.28 281.68 286.48 303.96 308.26 329.86 356.25 369.75 405.70 418.75 435.52 460.34 489.37 520.91 536.45 585.91 591.83 614.91 642.60 674.88 685.92 733.28 758.30 781.80 795.37 808.67 829.18 859.74 868.95 907.02 940.93 960.99 967.39 1004.47 1019.33 1028.73 1056.84 1094.88 1103.56 1118.40 1137.19 1148.40 1187.49 1193.07 1230.86 1239.91 1248.29 1252.01 1284.87 1324.18 1360.90 1391.96 1429.69 1447.38 1458.01 1464.41 1467.26 1487.68 1506.34 1548.91 1565.37 1575.52 1588.93 1597.24 1603.41 1651.09 1682.01 1699.66 1705.43 1718.13 1736.64 1755.09 1776.93 1791.01 1797.93 1807.06 1815.52 1838.31 1866.18 1888.98 1904.56 1914.85 1925.05 1938.64 1958.29 1991.19 2010.74 2050.36 2059.84 2075.60 2093.86 2098.43 2136.45 2171.78 2215.56 2235.06 2245.81 2256.78 2274.68 2283.67 2295.54 2310.17 2341.77 2342.98 2346.83 2363.82 2375.91 2377.78 2382.86 2398.15 2414.02 2450.72 2484.25 2557.55 2558.21 2573.45 2598.10 2613.13 2650.57 2684.26 2710.81 4567.72 4614.07 4614.72 4678.37 4696.07 4696.97 4707.50 4730.67 4779.33 4828.63 4846.26 4864.39 4880.87 4900.06 4906.43 4925.54 4956.26 5295.11 5425.14 5553.42 5558.21 5564.52 5885.95
0.472540
0.499829
0.500773
0.411156
-1819.835193
-1819.807905
-1819.806961
-1819.896578
3.005769D-04
MUNgauss
RevisionA2.0
retrievium
13-Jan-2021
DUDE CNC(=N)c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4 383748 CHEMBL425819
RHF
6-31G(d)
(6D,10F)
C1
450.157102
|X|Y|Z|
133.746436 70.211955 25.039610
61.722041
24
|36.858105|
|13.171754|53.358707|
|7.814782|18.865183|36.858105|
|6.971766|11.335761|15.076504|53.358707|
|5.055578|10.724621|12.711647|10.559980|36.858105|
|3.939056|7.183630|7.604724|8.575974|13.541147|36.858105|
|3.121567|5.415808|5.019298|5.929185|7.789703|13.803470|36.858105|
|2.598755|4.247747|3.783133|4.807819|4.962577|7.517867|12.644709|36.858105|
|2.959257|5.170082|4.472221|5.110495|6.897701|8.070275|13.632231|7.538959|36.858105|
|2.461663|4.114982|3.391274|4.026870|4.624556|5.162610|7.592085|6.234062|13.837443|53.358707|
|2.427640|4.048279|3.211473|3.770097|4.241725|4.280565|5.428874|4.422541|8.906000|19.892603|36.858105|
|2.074695|3.344876|2.589479|3.117419|3.208316|3.226089|3.891676|3.467837|5.340514|10.550205|13.006410|36.858105|
|1.843645|2.916805|2.271549|2.794438|2.755078|2.870167|3.497536|3.353364|4.440977|8.780468|7.609255|13.584477|36.858105|
|1.828068|2.887584|2.288116|2.844138|2.790315|3.031566|3.833071|3.912945|4.678589|9.570821|6.601491|7.944594|14.257512|53.358707|
|1.626994|2.522871|1.992122|2.520657|2.360982|2.582999|3.169312|3.405633|3.586464|6.474459|4.404126|5.068873|7.703323|17.950371|36.858105|
|1.629940|2.517943|2.016499|2.584130|2.382309|2.692886|3.342948|3.870938|3.559496|6.097634|3.832388|3.962908|5.112774|10.653103|12.441987|36.858105|
|1.747249|2.715093|2.180377|2.775061|2.600333|3.009116|3.817497|4.621531|3.953147|6.637740|3.962372|3.862410|4.656491|9.235925|7.891115|13.614499|73.516695|
|1.449655|2.203573|1.749676|2.270027|2.014285|2.249290|2.680079|3.082904|2.779509|4.489274|2.945941|3.083948|3.835329|6.857829|7.579872|12.502808|13.893444|36.858105|
|1.354607|2.045234|1.620637|2.117852|1.845511|2.033158|2.376804|2.673758|2.472358|3.935516|2.655069|2.822296|3.472970|5.833663|6.072156|7.546458|9.124778|13.687658|36.858105|
|1.238280|1.850864|1.457287|1.916237|1.634853|1.787402|2.045803|2.284092|2.103417|3.260424|2.230887|2.361655|2.817214|4.496324|4.330490|5.010577|6.997693|7.904334|13.782982|36.858105|
|1.201604|1.788033|1.401830|1.844645|1.563112|1.711546|1.944885|2.182672|1.977888|3.025319|2.064416|2.162698|2.539363|4.021136|3.770173|4.411314|6.714537|6.815820|7.926393|13.742718|36.858105|
|1.266871|1.891673|1.483635|1.943739|1.662778|1.836039|2.102910|2.391955|2.126917|3.259762|2.194432|2.275742|2.674078|4.321575|4.071905|5.009024|8.095815|7.950120|6.934340|8.011182|13.804403|36.858105|
|1.201061|1.778195|1.384453|1.818702|1.532585|1.684861|1.895610|2.141973|1.894607|2.836498|1.922234|1.971504|2.250800|3.526217|3.118210|3.641194|6.446014|4.768520|4.241765|4.778682|7.047043|10.923816|448.794386|
|1.392671|2.101229|1.657502|2.155666|1.886342|2.106241|2.468306|2.852726|2.510782|3.933318|2.593168|2.677017|3.211104|5.458824|5.399690|7.515554|12.085474|13.745928|7.960456|6.882263|7.894257|13.757411|56.593466|36.858105|
|1.640481|2.547520|1.955165|2.432148|2.297982|2.360396|2.764448|2.686712|3.332722|5.901448|4.995650|7.768534|13.186614|10.826965|6.627468|4.355707|6.810774|3.595293|3.403469|2.832563|2.541707|2.621087|17.744872|3.049163|36.858105|
|1.617688|2.499480|1.890253|2.344930|2.192214|2.195497|2.501048|2.373816|3.010623|5.065289|4.491264|6.859328|7.932539|7.193587|4.522145|3.338765|5.417866|2.875135|2.776117|2.397965|2.181021|2.229402|15.504821|2.520526|14.232542|36.858105|
|1.761753|2.744472|2.056438|2.520639|2.394617|2.339722|2.632293|2.415070|3.245893|5.348297|5.105677|7.954935|6.923238|6.344699|3.784093|2.964274|4.980175|2.528961|2.422542|2.109143|1.937702|1.991871|14.074722|2.247438|8.124032|14.125429|53.358707|
|1.713171|2.644866|1.958598|2.406529|2.242375|2.161557|2.380972|2.177608|2.881108|4.554380|4.232416|5.809865|5.083035|5.100973|3.169618|2.568220|4.348258|2.241465|2.167207|1.918752|1.774071|1.814809|12.977284|2.019095|5.865221|9.293450|26.018488|0.500000|
|2.014315|3.208471|2.417268|2.910565|2.895451|2.794750|3.181842|2.812585|4.143254|6.969842|7.641087|13.219479|7.729690|7.003930|3.858389|3.105126|5.360105|2.564850|2.411029|2.077016|1.914396|1.989846|14.081292|2.276009|6.742941|7.892814|18.751008|0.262714|36.858105|
|2.173198|3.478691|2.572146|3.060381|3.051159|2.831602|3.111785|2.671946|4.023666|6.205238|6.625634|8.017425|5.276923|5.442902|3.137151|2.652401|4.666863|2.232492|2.108036|1.844104|1.714520|1.780312|12.785891|2.013195|4.720748|5.473966|11.665821|0.223678|15.663381|73.516695|
|2.825801|4.870608|3.800294|4.290461|5.149844|4.684073|5.400357|4.049091|8.690472|11.748363|14.046323|7.691993|5.080649|6.112911|3.352937|3.035595|5.633363|2.447046|2.241327|1.930095|1.804088|1.907535|13.686516|2.205681|3.865069|3.744227|6.084734|0.110027|6.610478|12.722906|53.358707|
|2.760999|4.675852|3.506119|3.985177|4.452221|3.912082|4.259808|3.345802|6.005315|8.247235|9.185894|7.006953|4.636753|5.351689|3.030760|2.707280|4.945725|2.235570|2.075278|1.807314|1.691269|1.775664|12.818183|2.027184|3.750266|3.830717|6.583389|0.123030|7.361323|17.136664|26.019540|0.500000|
|3.354741|6.120928|5.081299|5.459312|8.073021|6.990277|7.853850|5.001551|13.694391|11.463868|8.656816|5.280066|4.058946|5.345042|3.061608|2.929194|5.600347|2.373843|2.159302|1.869113|1.760807|1.872760|13.550051|2.164833|3.169116|3.005416|4.628145|0.085619|4.501227|8.436022|18.881427|0.246057|36.858105|
|4.407696|8.966737|7.618669|7.219761|13.769923|7.859681|6.669048|4.366282|7.816381|7.235774|5.335699|3.859988|3.137702|4.164655|2.513629|2.452928|4.688978|2.053387|1.887393|1.662729|1.579388|1.673844|12.296585|1.903816|2.586405|2.503110|3.832967|0.073162|3.539565|6.866471|10.265340|0.179010|13.734746|36.858105|
|17.584630|12.566504|5.736407|6.846694|4.254060|3.384329|2.796287|2.353354|2.723301|3.151030|2.322263|2.013552|1.786056|2.388269|1.564290|1.554040|2.954005|1.387606|1.298309|1.190383|1.157225|1.219419|9.310943|1.336599|1.603118|1.594396|2.374038|0.047459|1.983894|3.837397|3.687665|0.074921|3.118162|3.982963|0.500000|
|17.536480|12.249746|6.846119|9.204811|4.604139|3.841785|3.037637|2.592737|2.800715|3.187829|2.271673|1.951270|1.758008|2.398621|1.582987|1.601799|3.073182|1.432045|1.334489|1.224016|1.193686|1.262363|9.664679|1.385113|1.566922|1.534889|2.251625|0.044543|1.876437|3.549538|3.513326|0.069253|3.059442|3.864270|0.299097|0.500000|
|17.636995|12.496528|7.007976|9.749747|4.606803|3.651717|2.925822|2.462163|2.779475|3.176019|2.307126|1.986405|1.770547|2.387334|1.566735|1.570318|2.963123|1.402034|1.319664|1.208426|1.168587|1.225091|9.298924|1.341732|1.582788|1.564243|2.316718|0.046107|1.936781|3.716612|3.638931|0.072949|3.137524|4.063161|0.300478|0.302139|0.500000|
|9.161402|26.054570|9.501356|8.360748|7.550327|5.198557|4.069763|3.169226|3.988166|4.331901|3.158875|2.598766|2.249796|3.016630|1.924944|1.908810|3.689673|1.663649|1.533926|1.385906|1.342714|1.427594|10.794443|1.591499|1.958752|1.924081|2.887848|0.056724|2.495385|4.826700|5.224876|0.102512|4.803366|6.930996|0.228825|0.202544|0.181083|0.500000|
|5.107388|8.263822|10.177015|25.879811|7.606811|7.099181|4.833300|3.959320|3.993457|4.250910|2.859942|2.351742|2.124815|2.978167|1.941560|2.011452|3.832111|1.760659|1.643975|1.481766|1.420928|1.495320|11.165223|1.662885|1.837930|1.756464|2.551939|0.049413|2.164481|3.996836|4.341167|0.080976|4.086573|5.140386|0.110817|0.139926|0.146601|0.137165|0.500000|
|3.918276|6.713263|7.134419|9.293329|8.911656|17.715399|8.979678|6.964259|5.699965|5.631455|3.483675|2.757371|2.521588|3.661005|2.361929|2.509828|4.998921|2.140174|1.940097|1.723221|1.662045|1.784125|13.273977|2.029094|2.117298|1.970471|2.824051|0.053606|2.420954|4.340739|5.043807|0.089051|5.013053|5.632921|0.091928|0.110995|0.101546|0.130905|0.226093|0.500000|
|2.394817|3.871072|3.303949|4.147051|4.226857|5.774372|8.855673|17.573414|6.842202|8.815519|4.524236|3.637115|3.625507|5.971089|3.848044|4.486680|10.411642|3.475966|2.904879|2.458872|2.373254|2.659042|19.078178|3.254402|2.879594|2.499961|3.412250|0.062289|2.896623|4.800776|5.387281|0.091242|4.623562|3.920599|0.061283|0.066482|0.062529|0.081944|0.091857|0.148218|0.500000|
|2.377905|3.825484|3.386324|4.411124|4.308249|5.973647|8.876890|17.538666|6.578599|8.184425|4.314073|3.475225|3.436581|5.566377|3.608135|4.206394|8.469731|3.320764|2.920130|2.461121|2.310540|2.498604|17.581595|2.983676|2.757177|2.413343|3.306833|0.060653|2.803072|4.681403|5.240848|0.089281|4.545592|3.927643|0.060039|0.065437|0.063710|0.078115|0.102336|0.155550|0.303393|0.500000|
|2.642637|4.235499|3.808001|5.017382|4.697459|7.183821|8.864408|17.577479|5.571696|6.312154|3.572713|2.906045|2.821558|4.389854|2.911017|3.323606|6.990044|2.774301|2.432662|2.123496|2.055800|2.252549|16.529229|2.634113|2.335814|2.093734|2.897301|0.054006|2.438372|4.173905|4.623308|0.080438|4.167293|3.915322|0.065838|0.074800|0.069522|0.086739|0.116095|0.219758|0.300491|0.301260|0.500000|
|1.984177|3.173878|2.555373|3.158263|3.196960|3.574586|4.769054|4.922282|5.954915|13.655556|7.714621|7.494342|9.554429|25.807257|9.008128|7.606783|13.569329|4.754060|3.959709|3.091446|2.808035|3.057999|20.348732|3.886793|5.790620|4.338676|5.585025|0.094140|4.795119|6.952128|6.859724|0.116604|4.597604|3.475601|0.052456|0.053220|0.052683|0.067697|0.067994|0.086783|0.156763|0.142560|0.107673|0.500000|
|1.560590|2.404943|1.875280|2.367915|2.197638|2.379709|2.862002|3.046373|3.210964|5.601409|3.929370|4.588485|6.704916|12.338614|17.482375|8.878135|12.486887|6.968342|5.489712|4.203003|3.836353|4.258711|26.674015|5.601721|6.508599|4.531397|5.046806|0.087129|3.663991|5.327782|4.195722|0.078725|2.807385|2.340004|0.041955|0.042281|0.041572|0.051302|0.050221|0.060834|0.096511|0.087083|0.073810|0.188389|0.500000|
|1.535527|2.363892|1.862863|2.375343|2.180705|2.356263|2.828703|3.002773|3.180248|5.551651|3.921221|4.624058|6.836199|12.393086|17.581070|8.883330|10.160604|7.028378|6.767367|4.721372|3.870538|3.929210|23.822460|4.877913|6.769136|4.655470|5.135275|0.088472|3.703230|5.365288|4.185393|0.078738|2.790035|2.325438|0.041066|0.041401|0.041368|0.049749|0.050872|0.060190|0.091074|0.089839|0.072433|0.184536|0.302697|0.500000|
|1.679701|2.601993|2.112247|2.726188|2.508337|2.868479|3.601017|4.252570|3.786983|6.427208|3.931310|3.929899|4.858049|9.763941|8.916509|17.588285|17.104778|8.936111|6.956568|4.684068|3.989226|4.294399|25.787819|5.825922|4.042017|3.174608|3.923339|0.069674|3.071165|4.715385|4.257643|0.076817|3.064798|2.563870|0.044182|0.045782|0.045220|0.054290|0.059618|0.074257|0.131835|0.136225|0.100036|0.209890|0.174610|0.214581|0.500000|
|1.724170|2.674601|2.117907|2.674648|2.512834|2.855104|3.553892|4.106926|3.753757|6.298538|3.912127|3.910538|4.752374|9.039132|7.678879|9.780081|35.712990|6.798570|4.615227|3.683848|3.634641|4.463995|29.594659|6.535028|3.986069|3.167429|3.934679|0.070039|3.081937|4.747783|4.273481|0.077330|3.071306|2.576406|0.045872|0.047367|0.045447|0.057314|0.057079|0.073875|0.144122|0.112931|0.098723|0.195387|0.220594|0.151086|0.190930|0.500000|
|1.378299|2.086434|1.658054|2.167175|1.894040|2.075440|2.429356|2.694541|2.557618|4.104500|2.795043|3.000526|3.713615|6.169353|6.225455|7.009936|8.333206|8.888571|17.700933|8.954076|5.648330|4.982702|27.470380|5.650899|3.648991|2.963289|3.507381|0.063783|2.559779|3.957411|3.195889|0.060471|2.243320|1.950667|0.036652|0.037536|0.037452|0.043310|0.046863|0.054658|0.079822|0.083042|0.067485|0.114746|0.145697|0.215240|0.201753|0.115985|0.500000|
|1.181641|1.758796|1.382255|1.824481|1.540516|1.671132|1.892900|2.087433|1.948546|2.993768|2.073847|2.202637|2.593428|4.023287|3.723846|4.090851|5.844718|5.632301|8.930905|17.722487|8.934464|5.680797|31.628993|4.957269|2.646624|2.283055|2.740274|0.051284|1.967647|3.123984|2.468099|0.047510|1.752148|1.569087|0.031586|0.032396|0.032162|0.036455|0.039175|0.044814|0.061483|0.062637|0.054168|0.076782|0.099665|0.115973|0.110578|0.085896|0.216301|0.500000|
|1.127165|1.666857|1.301690|1.719197|1.438649|1.565768|1.757398|1.955740|1.780387|2.688670|1.850681|1.935150|2.235862|3.458075|3.128654|3.533288|5.564107|4.924924|5.634825|8.873860|17.751320|8.926992|53.825400|5.631243|2.258308|1.976091|2.405548|0.045366|1.738633|2.792392|2.229930|0.042938|1.601961|1.450711|0.030213|0.031149|0.030500|0.034717|0.036697|0.042436|0.058529|0.057202|0.051682|0.067375|0.088929|0.089581|0.090777|0.084612|0.124105|0.214235|0.500000|
|1.451043|2.193834|1.728719|2.239172|1.972503|2.218017|2.608693|3.046821|2.629841|4.089727|2.663914|2.704155|3.190877|5.425930|5.067817|6.934489|13.789688|8.898362|5.650038|4.962494|5.644688|8.950550|54.172433|17.780476|2.966910|2.469491|3.038279|0.055732|2.288338|3.617648|3.092212|0.057695|2.250233|1.980314|0.038682|0.040234|0.038609|0.046397|0.047852|0.059481|0.099176|0.086417|0.078459|0.110361|0.149826|0.120682|0.148895|0.221930|0.123988|0.107696|0.124370|0.500000|
|1.522192|2.341475|1.800422|2.262747|2.092308|2.173724|2.535391|2.533093|2.956941|5.106440|4.059542|5.557762|8.671405|9.768884|7.473420|4.681490|6.994180|4.036856|3.889189|3.222200|2.858216|2.918536|19.383011|3.380227|17.818792|9.133501|7.839601|0.128224|4.892314|6.637238|4.403567|0.086639|2.765627|2.305524|0.041285|0.040659|0.040865|0.049817|0.047621|0.054923|0.075950|0.072721|0.061818|0.144948|0.218404|0.231774|0.116775|0.114253|0.115401|0.083281|0.070014|0.089338|0.500000|
|1.491387|2.277787|1.712892|2.141389|1.954603|1.953937|2.193072|2.101797|2.574131|4.192047|3.586568|4.950602|5.605184|5.755819|3.899835|2.971657|4.807214|2.661363|2.619994|2.314451|2.112530|2.135074|14.965343|2.365025|9.000832|17.754092|12.585692|0.226238|5.694980|7.907863|4.238511|0.089200|2.577571|2.204018|0.040989|0.039409|0.040173|0.048559|0.044455|0.049268|0.061310|0.059398|0.052205|0.098736|0.111359|0.114401|0.078266|0.078189|0.077345|0.061905|0.053705|0.063922|0.216741|0.500000|
|4.769270|9.706661|6.998462|6.749387|8.875799|5.596090|4.846986|3.503933|5.579352|5.868826|4.603091|3.554618|2.879057|3.732213|2.282411|2.199781|4.147929|1.871202|1.737570|1.544192|1.468352|1.547121|11.426021|1.741789|2.438966|2.417435|3.762568|0.073292|3.444031|6.971625|8.989997|0.179171|8.829901|17.739374|0.123695|0.110526|0.122923|0.208687|0.127449|0.123809|0.089460|0.089668|0.089366|0.084137|0.059619|0.059357|0.063417|0.063845|0.049943|0.040719|0.037673|0.050102|0.060331|0.059672|0.500000|
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