Version2.1
2021-01-09T15:34:31Z
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 CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)Cn2cnc3ccccc3c2=O)N C21082996
RHF
6-31G(d)
(6D,7F)
CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)Cn2cnc3ccccc3c2=O)N
C01[X(C22H28N6O4)]
174
C1
536
CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)Cn1cnc2c(c1=O)cccc2)C
CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)Cn1cnc2c(c1=O)cccc2)C
CC(C)CN1C(=O)NC(=O)C(=C1N)N(CC(C)C)C(=O)CN2C=Nc3ccccc3C2=O
InChIKey=FMAXECBCDBIWNM-UHFFFAOYSA-N
InChI=1S/C22H28N6O4/c1-13(2)9-27(18-19(23)28(10-14(3)4)22(32)25-20(18)30)17(29)11-26-12-24-16-8-6-5-7-15(16)21(26)31/h5-8,12-14H,9-11,23H2,1-4H3,(H,25,30,32)
InChI=1/C22H28N6O4/c1-13(2)9-27(18-19(23)28(10-14(3)4)22(32)25-20(18)30)17(29)11-26-12-24-16-8-6-5-7-15(16)21(26)31/h5-8,12-14H,9-11,23H2,1-4H3,(H,25,30,32)/f/h25H
CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)Cn2cnc3ccccc3c2=O)N
C01[X(C22H28N6O4)]
174
C01
536
CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)Cn1cnc2c(c1=O)cccc2)C
CC(CN([C]1[C](N)N(C(=O)NC1=O)CC(C)C)C(=O)CN1C=N[C]2[C]([CH][CH][CH][CH]2)C1=O)C
CC(C)CN1[C](N)[C](N(CC(C)C)C(=O)CN2C=N[C]3[CH][CH][CH][CH][C]3C2=O)C(=O)NC1=O
InChIKey=FMAXECBCDBIWNM-UHFFFAOYSA-N
InChI=1S/C22H28N6O4/c1-13(2)9-27(18-19(23)28(10-14(3)4)22(32)25-20(18)30)17(29)11-26-12-24-16-8-6-5-7-15(16)21(26)31/h5-8,12-14H,9-11,23H2,1-4H3,(H,25,30,32)
InChI=1/C22H28N6O4/c1-13(2)9-27(18-19(23)28(10-14(3)4)22(32)25-20(18)30)17(29)11-26-12-24-16-8-6-5-7-15(16)21(26)31/h5-8,12-14H,9-11,23H2,1-4H3,(H,25,30,32)/f/h25H
3319.9694775258
-1475.6544568
1-A
17080.6868
117
419
536
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11.20039
-1.0220 0.3226 -5.9131
6.0095
|XX|YY|ZZ|XY|XZ|YZ|
-187.4144 -178.0535 -198.5830 -3.7619 10.7789 -4.9452
|XX|YY|ZZ|XY|XZ|YZ|
0.6026 9.9635 -10.5661 -3.7619 10.7789 -4.9452
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
115.4021 4.6628 1.5361 -1.0210 -65.5050 -19.0313 -17.3739 -17.5228 -20.2413 -38.4778
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-15165.3613 -5475.1085 -2134.2851 -687.3887 442.0287 61.2555 2.9420 -16.2070 -56.6568 -3292.0568 -3006.9333 -1329.3325 85.8919 21.5426 -32.7573
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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
12.8430 18.8755 21.0485 36.3127 40.7837 48.6142 61.4590 65.6873 68.9411 80.0789 84.6813 102.0584 126.8060 146.0098 167.2905 179.9981 190.6639 195.6302 226.6485 243.9338 245.1505 253.6482 259.8402 289.1812 296.2937 299.5498 303.6329 315.9351 330.6251 360.0360 374.8139 385.2745 404.9491 415.0815 421.2976 435.1902 455.7783 463.9526 468.5619 474.8755 497.3924 508.2823 515.6740 531.2495 547.4120 578.5539 587.6277 609.7572 625.8345 658.6574 675.5936 681.3114 699.4759 719.7422 743.7732 768.6328 780.4470 785.9599 819.5611 838.1706 851.6424 864.8528 867.7755 874.7428 879.9814 885.0064 895.0778 915.8941 947.6472 962.2820 981.9295 998.5251 1008.2951 1012.8249 1018.8353 1033.4609 1037.0773 1048.8897 1049.5155 1075.1290 1086.3574 1098.2160 1106.8077 1131.3940 1131.6476 1157.8321 1211.5723 1225.4220 1227.2576 1239.2427 1240.2745 1261.4815 1268.9068 1295.8329 1301.0407 1304.7087 1305.9622 1317.4324 1320.8815 1358.9320 1366.2166 1374.9362 1378.8242 1397.7139 1413.7980 1445.4111 1447.9774 1454.8749 1472.6864 1497.8814 1512.3509 1513.1979 1527.9861 1540.2716 1552.1364 1556.9472 1561.5375 1562.4308 1570.1327 1573.9543 1578.3854 1580.4799 1589.1191 1616.4561 1630.1245 1634.1247 1635.5164 1636.7216 1640.2085 1645.5889 1651.1129 1653.2022 1654.1784 1658.1009 1660.9150 1663.8738 1664.9681 1766.9408 1794.9858 1815.4447 1861.3214 1869.6648 1940.3958 1949.8914 1956.5069 1974.0558 3173.3971 3180.0854 3196.1481 3197.3333 3204.8598 3242.2139 3251.6096 3255.1477 3259.4876 3268.7784 3268.8284 3270.6848 3273.3839 3277.7056 3283.4363 3292.9245 3301.0555 3329.1085 3342.0759 3348.7344 3365.3022 3381.2283 3383.9641 3400.7697 3411.1838 3838.8075 3856.0783 3931.2104
5.4520 5.1368 5.7750 4.7365 4.5239 3.4780 2.8711 3.5889 6.0901 4.0552 8.0181 7.2277 4.8954 5.5059 5.1777 8.6798 3.7832 5.3097 2.5487 1.1120 1.1163 2.7473 1.9571 2.3517 2.2175 3.1809 2.8212 1.2126 1.6621 2.5129 7.0197 3.4325 3.1480 2.4793 3.1252 4.1333 2.3810 5.2639 4.6362 3.1322 3.2292 2.0867 4.0467 4.3302 7.5343 5.1784 5.9186 5.4970 3.9595 3.3006 3.2735 2.2393 7.6326 1.7713 2.7827 4.5512 4.4780 4.2612 5.6888 3.3848 5.1606 4.7395 4.2954 1.5860 2.8224 3.7124 3.6069 4.3343 2.0760 4.8510 1.4911 1.5329 1.4112 1.3449 1.6671 1.8025 1.8457 1.4861 1.4995 3.4565 1.4509 3.6088 1.3584 1.3865 2.0502 2.7519 2.2728 1.9484 3.5226 2.0667 2.1127 1.9389 2.3397 2.1889 3.2029 1.7248 1.7508 1.8939 2.0018 1.9586 2.3818 2.6751 2.5361 4.7269 1.8579 1.5252 3.0843 1.3268 1.2373 1.6435 1.3730 1.4602 2.0660 1.8721 1.4071 1.4039 1.4094 1.5797 1.9430 1.5547 1.3350 1.2484 2.0977 1.1250 2.4327 1.0642 1.1876 1.4867 1.1180 1.4232 1.0627 2.6709 1.0610 1.0651 1.0938 1.0866 1.1403 6.6662 3.9399 5.7888 1.3470 7.8493 10.9837 10.2366 9.1804 10.5425 1.0843 1.0485 1.0410 1.0376 1.0408 1.0862 1.0942 1.1026 1.1027 1.0914 1.0797 1.0900 1.1031 1.1019 1.0657 1.0631 1.0981 1.1036 1.1065 1.0984 1.0887 1.0938 1.0929 1.0957 1.0956 1.0501 1.0790 1.0971
0.0005 0.0011 0.0015 0.0037 0.0044 0.0048 0.0064 0.0091 0.0171 0.0153 0.0339 0.0444 0.0464 0.0692 0.0854 0.1657 0.0810 0.1197 0.0771 0.0390 0.0395 0.1041 0.0779 0.1159 0.1147 0.1682 0.1532 0.0713 0.1070 0.1919 0.5810 0.3002 0.3041 0.2517 0.3268 0.4612 0.2914 0.6676 0.5997 0.4162 0.4707 0.3176 0.6340 0.7200 1.3302 1.0212 1.2041 1.2042 0.9137 0.8436 0.8803 0.6124 2.2002 0.5406 0.9070 1.5842 1.6070 1.5509 2.2513 1.4010 2.2053 2.0887 1.9058 0.7150 1.2877 1.7132 1.7026 2.1422 1.0984 2.6466 0.8471 0.9005 0.8453 0.8128 1.0196 1.1343 1.1696 0.9633 0.9731 2.3540 1.0089 2.5644 0.9804 1.0457 1.5469 2.1735 1.9657 1.7239 3.1260 1.8700 1.9148 1.8179 2.2196 2.1656 3.1943 1.7299 1.7593 1.9367 2.0577 2.1310 2.6194 2.9796 2.8408 5.4408 2.1881 1.8774 3.8100 1.6546 1.5810 2.1725 1.8502 1.9699 2.8420 2.6168 1.9973 2.0050 2.0249 2.2721 2.8223 2.2693 1.9595 1.8372 3.1211 1.7319 3.8088 1.6743 1.8717 2.3466 1.7721 2.2708 1.7069 4.3009 1.7105 1.7253 1.7778 1.7724 1.8625 12.2623 7.4792 11.2409 2.7495 16.1663 24.3658 22.9312 20.7050 24.2055 6.4338 6.2476 6.2657 6.2498 6.2986 6.7274 6.8159 6.8837 6.9027 6.8707 6.7973 6.8699 6.9640 6.9749 6.7690 6.7918 7.0502 7.2061 7.2817 7.2574 7.2644 7.3678 7.3735 7.4665 7.5111 9.1174 9.4526 9.9895
0.2717 0.0708 0.4703 0.8255 0.6890 1.7776 0.0691 0.4727 1.7879 0.9945 2.6282 2.0978 1.7774 1.0958 5.5591 1.2914 3.6536 3.9426 2.3209 0.7249 0.1971 1.3738 1.8390 17.4991 3.3949 5.6368 14.7849 15.2984 8.2435 0.7996 4.2977 1.9908 10.0253 3.5953 8.1974 17.8277 0.8768 9.9443 21.1439 5.9287 17.1980 15.5406 11.5531 7.5121 7.3445 11.8175 52.2003 31.6560 19.0103 0.3711 22.7352 28.3979 6.2943 106.8922 62.1072 0.7773 4.3808 25.0562 4.0151 65.7849 10.8157 35.0095 111.5048 73.0931 13.8159 80.6687 4.3887 36.2963 6.3902 19.9873 7.2325 6.3243 1.1121 8.8381 7.0701 2.5660 8.2304 0.1126 0.6308 17.8400 1.1064 24.4453 1.8783 0.4908 2.4334 19.4053 21.3402 24.3996 10.1406 22.5120 2.0491 115.8703 38.8738 30.4653 24.0359 23.0243 2.3450 22.6928 11.7578 46.8339 195.0910 9.6813 70.2604 117.5543 14.1280 32.7405 134.1358 11.8944 6.5164 138.6471 18.3367 31.9041 30.9857 92.0318 13.9022 4.4710 11.1501 6.7090 38.6375 10.1124 5.3369 12.6938 182.6849 27.1638 5.5574 5.2234 56.1691 97.3656 33.3156 80.1328 1.9054 70.8108 1.6752 4.3617 37.4016 17.7612 29.1748 22.1069 443.9470 84.8320 226.7670 416.7249 496.6241 333.0971 939.2775 584.0893 49.8916 29.9013 35.2580 27.3301 34.1240 10.0165 13.0918 16.0333 50.4813 48.1511 10.7078 77.7980 14.6342 65.0391 24.6010 30.1980 29.6211 29.2753 9.3513 4.3409 8.0317 27.6191 19.2621 12.2290 7.0633 45.9146 112.1897 64.5380
5.7404 3.3269 2.1280 2.2485 0.6389 0.8828 0.1521 0.2081 0.7634 0.5641 1.0552 1.8600 0.6371 1.4220 1.9436 0.1598 0.1066 1.0025 1.1275 0.2597 0.0928 0.5776 0.4671 1.3829 0.5570 0.6045 0.8461 0.7478 1.0286 0.2057 1.1572 0.6220 1.5601 0.2184 0.9761 1.2129 0.8812 4.6327 1.2336 1.4541 2.3504 0.6939 4.0695 2.2445 3.6154 0.7990 2.3741 1.9189 2.0519 4.1663 3.4422 2.3683 8.8409 3.6944 0.6867 5.5097 5.7948 3.5217 6.1824 5.4604 0.7757 2.6730 11.2699 0.7208 14.6526 4.6590 3.2507 3.0286 6.8464 5.0751 0.9662 2.2543 1.7343 1.7348 5.4843 8.3798 6.6400 7.1659 4.3226 1.2312 2.4379 2.1228 0.0434 2.1094 17.9614 2.4471 4.5959 0.4065 4.5034 5.1603 6.0660 1.3642 4.5475 4.2239 0.8723 2.0525 5.0994 37.4107 2.4734 30.8583 4.9473 62.3592 4.8372 1.4295 2.1448 6.1551 18.8667 6.8819 8.9050 2.5428 3.8635 6.0885 10.3224 7.8065 11.3437 2.4400 2.2995 4.2310 1.7705 61.5292 2.0117 0.5197 11.4944 23.5184 0.3848 7.2167 44.7080 28.2611 2.0216 3.6250 28.0388 27.2689 28.0008 3.3273 0.7053 3.3357 4.8770 66.8446 28.6053 32.4456 8.7187 121.8556 9.6918 4.3793 20.1407 8.6915 80.1957 49.4996 119.4052 30.9198 169.7622 98.6499 23.8623 29.8798 45.2808 63.0896 19.0320 159.8092 36.4950 128.8598 113.7188 47.8376 53.1822 32.7523 46.1514 23.5154 78.9677 64.4985 167.1254 122.5574 114.0763 83.6412 75.8542 44.7379
0.7456 0.7427 0.7475 0.7471 0.7491 0.7497 0.6406 0.7261 0.7254 0.7115 0.7247 0.7170 0.7489 0.7183 0.5966 0.5553 0.4490 0.2531 0.1598 0.1912 0.0884 0.7372 0.3358 0.6206 0.4378 0.6778 0.4232 0.4096 0.5534 0.3134 0.5627 0.6364 0.4305 0.5040 0.4478 0.3004 0.3041 0.4444 0.6898 0.7448 0.3963 0.4367 0.4025 0.5933 0.6729 0.6184 0.0259 0.2043 0.2339 0.6572 0.5633 0.6558 0.1259 0.7137 0.7413 0.0781 0.2078 0.3535 0.1678 0.6716 0.2151 0.7458 0.2501 0.2135 0.0961 0.0961 0.4638 0.1715 0.1073 0.5150 0.6915 0.7482 0.7163 0.5723 0.5155 0.6985 0.7451 0.7500 0.7473 0.6901 0.7241 0.2518 0.7386 0.2110 0.1437 0.3336 0.6421 0.7249 0.5037 0.6101 0.4994 0.7496 0.2492 0.3204 0.7496 0.7406 0.7321 0.3222 0.4401 0.3890 0.4730 0.1523 0.5740 0.6330 0.1213 0.3210 0.2002 0.7272 0.6000 0.7456 0.6595 0.6541 0.6964 0.7454 0.7474 0.6912 0.5613 0.5323 0.5687 0.3108 0.7354 0.5550 0.6596 0.4660 0.4676 0.7489 0.7395 0.6954 0.7417 0.7468 0.7235 0.3306 0.7322 0.7416 0.7100 0.7451 0.7153 0.4846 0.1839 0.6771 0.1992 0.2024 0.6823 0.6866 0.1952 0.0641 0.5035 0.0586 0.0135 0.0199 0.0274 0.6889 0.5684 0.6870 0.6991 0.0775 0.5668 0.4774 0.6561 0.6279 0.0535 0.1198 0.6033 0.7225 0.5511 0.5323 0.6971 0.2750 0.3863 0.1802 0.1516 0.1175 0.2523 0.7253
0.8542 0.8523 0.8555 0.8552 0.8566 0.8570 0.7809 0.8413 0.8408 0.8314 0.8404 0.8352 0.8564 0.8361 0.7473 0.7141 0.6197 0.4040 0.2756 0.3211 0.1624 0.8487 0.5028 0.7659 0.6090 0.8080 0.5947 0.5812 0.7125 0.4773 0.7201 0.7778 0.6018 0.6702 0.6186 0.4620 0.4664 0.6154 0.8164 0.8537 0.5677 0.6079 0.5739 0.7448 0.8045 0.7642 0.0505 0.3393 0.3792 0.7932 0.7206 0.7921 0.2237 0.8330 0.8514 0.1449 0.3441 0.5223 0.2874 0.8035 0.3540 0.8544 0.4002 0.3519 0.1753 0.1754 0.6337 0.2928 0.1937 0.6799 0.8176 0.8560 0.8347 0.7280 0.6803 0.8225 0.8539 0.8571 0.8554 0.8166 0.8399 0.4023 0.8496 0.3485 0.2513 0.5003 0.7820 0.8405 0.6700 0.7579 0.6661 0.8569 0.3990 0.4853 0.8569 0.8510 0.8453 0.4874 0.6112 0.5601 0.6422 0.2643 0.7293 0.7753 0.2164 0.4860 0.3336 0.8421 0.7500 0.8543 0.7948 0.7909 0.8210 0.8541 0.8555 0.8174 0.7190 0.6948 0.7251 0.4742 0.8475 0.7138 0.7949 0.6358 0.6372 0.8564 0.8502 0.8203 0.8517 0.8551 0.8395 0.4969 0.8454 0.8516 0.8304 0.8540 0.8340 0.6528 0.3107 0.8074 0.3322 0.3367 0.8111 0.8142 0.3267 0.1204 0.6697 0.1107 0.0266 0.0390 0.0533 0.8158 0.7248 0.8145 0.8229 0.1439 0.7236 0.6463 0.7924 0.7714 0.1016 0.2139 0.7526 0.8389 0.7106 0.6948 0.8215 0.4314 0.5573 0.3054 0.2633 0.2103 0.4029 0.8408
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
6 6 6 6 7 6 6 6 8 7 1 6 8 7 6 6 6 6 6 8 6 7 6 7 6 6 6 6 6 6 6 8 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
9566.3181 23657.4634 27790.5990
0.99989 0.00907 0.01149 -0.00898 0.99993 -0.00763 -0.01156 0.00752 0.99990
1
0.00905 0.00366 0.00312
0.18866 0.07629 0.06494
18.48 27.16 30.28 52.25 58.68 69.94 88.43 94.51 99.19 115.22 121.84 146.84 182.45 210.08 240.69 258.98 274.32 281.47 326.10 350.97 352.72 364.94 373.85 416.07 426.30 430.99 436.86 454.56 475.70 518.01 539.27 554.32 582.63 597.21 606.15 626.14 655.76 667.52 674.16 683.24 715.64 731.30 741.94 764.35 787.60 832.41 845.47 877.30 900.44 947.66 972.03 980.26 1006.39 1035.55 1070.12 1105.89 1122.89 1130.82 1179.17 1205.94 1225.32 1244.33 1248.54 1258.56 1266.10 1273.33 1287.82 1317.77 1363.45 1384.51 1412.78 1436.65 1450.71 1457.23 1465.88 1486.92 1492.12 1509.12 1510.02 1546.87 1563.03 1580.09 1592.45 1627.82 1628.19 1665.86 1743.18 1763.11 1765.75 1782.99 1784.48 1814.99 1825.67 1864.41 1871.91 1877.18 1878.99 1895.49 1900.45 1955.20 1965.68 1978.23 1983.82 2011.00 2034.14 2079.62 2083.32 2093.24 2118.87 2155.12 2175.94 2177.15 2198.43 2216.11 2233.18 2240.10 2246.70 2247.99 2259.07 2264.57 2270.94 2273.96 2286.39 2325.72 2345.39 2351.14 2353.14 2354.88 2359.89 2367.64 2375.58 2378.59 2379.99 2385.64 2389.69 2393.94 2395.52 2542.23 2582.58 2612.02 2678.03 2690.03 2791.80 2805.46 2814.98 2840.23 4565.81 4575.43 4598.54 4600.25 4611.08 4664.82 4678.34 4683.43 4689.68 4703.04 4703.11 4705.79 4709.67 4715.89 4724.13 4737.78 4749.48 4789.84 4808.50 4818.08 4841.92 4864.83 4868.77 4892.95 4907.93 5523.19 5548.04 5656.14
0.534401
0.563128
0.564072
0.471625
-1475.120056
-1475.091329
-1475.090385
-1475.182831
3.100654D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2021
DUDE CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)Cn2cnc3ccccc3c2=O)N C21082996
RHF
6-31G(d)
(6D,10F)
C1
440.217204
|X|Y|Z|
63.991768 40.596291 106.478428
65.156443
19
|36.858105|
|12.437066|36.858105|
|7.554212|12.443008|36.858105|
|7.639296|12.412422|7.427278|36.858105|
|4.963252|7.528247|6.115492|12.904585|53.358707|
|3.946758|5.430050|5.329890|7.568474|18.772771|36.858105|
|3.126257|4.050926|4.052776|5.068696|10.851310|14.037823|36.858105|
|2.901747|3.705258|3.555457|4.453442|9.244111|7.848739|13.190792|36.858105|
|2.463271|3.026674|2.954592|3.480765|6.479279|5.368887|8.086462|15.882590|73.516695|
|3.294712|4.294931|3.830128|5.217956|11.156169|7.080698|8.029366|13.761556|15.106990|53.358707|
|2.986856|3.741483|3.333198|4.310804|8.063355|5.165201|5.809669|9.339796|13.863545|25.980425|0.500000|
|4.267533|5.951695|4.767343|7.886060|18.720451|7.904219|6.782452|7.741831|9.616943|19.057206|0.263706|36.858105|
|4.551683|5.992185|4.446951|7.134650|11.464115|5.429453|4.756387|5.383757|7.557651|11.575837|0.217391|15.918116|73.516695|
|2.639900|3.256953|3.413061|3.843222|6.991696|7.806903|13.369669|7.786955|12.057463|7.066176|0.118313|4.501617|6.238805|53.358707|
|2.277219|2.698052|2.744229|3.184438|5.474976|5.357623|7.693179|6.170509|11.062654|5.934523|0.105169|3.732034|5.405302|17.629431|36.858105|
|2.176937|2.504163|2.543510|2.967516|4.792808|4.547482|5.451806|4.358230|7.504827|4.705607|0.084733|3.168157|4.741280|10.222414|12.402706|36.858105|
|2.393978|2.724875|2.686391|3.368349|5.312781|4.944719|5.337357|4.215725|6.837172|4.836810|0.086094|3.411251|5.124941|8.221707|7.471805|12.443123|36.858105|
|1.867084|2.100588|2.115433|2.433721|3.822295|3.383827|3.961989|3.515190|6.401014|3.937704|0.073628|2.632899|4.065401|6.755252|7.614651|12.431624|7.566027|36.858105|
|2.530033|3.107923|3.446607|3.441468|5.916286|6.078400|7.989019|5.772712|9.545410|5.804690|0.101059|3.828692|5.511442|18.947077|7.644760|5.591013|4.498538|4.117368|36.858105|
|2.779813|3.494578|4.101531|3.708564|6.279069|6.248803|7.055407|5.290319|8.370642|5.751197|0.099900|3.967973|5.748631|11.520154|5.297962|4.274688|3.762189|3.303678|15.889526|73.516695|
|2.113376|2.495580|2.744760|2.704775|4.397919|4.125061|5.057285|4.222195|7.643044|4.476190|0.081814|2.958548|4.448409|10.448553|6.625566|5.336002|3.977615|4.317635|12.445887|14.293584|36.858105|
|2.018438|2.355802|2.662934|2.461976|3.865374|3.468329|3.939767|3.410301|6.105239|3.833196|0.071206|2.605269|4.011981|6.988712|4.423564|3.889330|3.147130|3.327641|7.753898|12.672542|13.179230|53.358707|
|2.043599|2.352657|2.714002|2.431730|3.696647|3.290115|3.515311|2.977140|5.163387|3.462546|0.064120|2.434345|3.790609|5.959261|3.778175|3.581828|3.022176|3.052166|6.096801|11.013596|7.834204|18.936946|36.858105|
|1.934402|2.192094|2.552161|2.212062|3.281340|2.818136|2.930029|2.554433|4.434049|3.061060|0.057385|2.180709|3.458324|4.685906|3.026385|2.904312|2.541422|2.551169|4.473939|8.524752|5.248094|11.032321|15.101832|53.358707|
|1.810749|2.048470|2.367237|2.040173|3.033925|2.545158|2.678004|2.422091|4.280574|2.926919|0.055659|2.064964|3.305837|4.180240|2.729493|2.551874|2.240541|2.293966|3.925682|7.530298|4.589241|9.567747|8.428765|18.666542|36.858105|
|1.685529|1.874480|2.161682|1.840365|2.683148|2.197052|2.269208|2.083742|3.674773|2.575982|0.049445|1.838376|2.989549|3.434522|2.276816|2.160566|1.941129|1.972902|3.075723|5.914422|3.433735|6.312404|5.396135|10.803821|13.628353|36.858105|
|1.570855|1.739499|1.982139|1.697895|2.474941|1.993964|2.070747|1.947113|3.471993|2.429069|0.047172|1.724596|2.829785|3.084370|2.066909|1.941805|1.752377|1.797830|2.705409|5.164157|2.987869|5.240357|4.089806|7.090236|7.943523|13.865369|36.858105|
|1.555260|1.736057|1.957457|1.701372|2.513161|2.020951|2.136267|2.045687|3.704983|2.538549|0.049654|1.776295|2.910446|3.181824|2.140081|1.970394|1.762233|1.834572|2.794363|5.282510|3.114284|5.417027|3.893569|6.207912|6.833049|7.896011|13.616400|36.858105|
|1.649681|1.868371|2.102553|1.851859|2.787907|2.275647|2.458844|2.355897|4.315149|2.865259|0.055831|1.973749|3.193725|3.733052|2.493874|2.246529|1.971795|2.078049|3.370305|6.312242|3.878158|7.039062|4.654333|6.999709|7.863895|6.840922|7.948759|13.875501|36.858105|
|1.787282|2.043239|2.326333|2.046562|3.105642|2.602780|2.825184|2.620330|4.741802|3.124478|0.059863|2.155530|3.436377|4.435194|2.906035|2.618907|2.261960|2.372534|4.217820|7.922228|5.100675|10.847784|7.064277|10.664010|13.680850|7.914958|6.900552|7.947032|13.634159|36.858105|
|1.886745|2.192100|2.464579|2.246186|3.509952|3.023957|3.431313|3.163845|5.829585|3.627603|0.068907|2.440441|3.815450|5.663861|3.676896|3.172925|2.642558|2.832372|5.726102|10.072496|7.813279|18.677663|7.922076|9.097956|7.711450|5.080738|4.505794|5.095560|7.679223|12.983484|36.858105|
|1.833997|2.136431|2.351666|2.202088|3.489718|2.968666|3.472549|3.356834|6.450048|3.805947|0.073362|2.492731|3.898630|5.648854|3.769039|3.129021|2.593509|2.848939|5.395291|9.094220|7.008103|11.488091|5.447234|6.406751|5.307487|3.993935|3.798349|4.500590|6.653834|8.042797|15.889973|73.516695|
|3.981904|5.173244|5.535360|6.785949|11.092239|13.932870|7.998672|5.152837|7.161323|6.393205|0.104723|5.255378|7.363856|9.099936|4.840633|4.598437|5.153886|3.363275|5.808675|10.899775|4.112079|4.842565|3.572838|4.159440|2.664134|2.302208|2.049003|2.033796|2.264510|2.632227|2.996371|5.043456|53.358707|
|17.561814|8.790175|6.944716|5.523489|5.552283|3.381570|2.776964|2.614940|4.021757|4.000402|0.075404|3.661427|6.980564|3.258966|2.074192|1.977528|2.135530|1.714770|2.342848|4.616020|1.985643|2.622626|1.957917|2.556929|1.775367|1.670443|1.566041|1.547166|1.627440|1.748305|1.822097|3.144691|4.644044|0.500000|
|17.553224|8.754330|5.484350|6.980183|6.355092|3.643303|2.955154|2.814807|4.275184|4.444057|0.083633|4.255942|8.537309|3.382390|2.187486|2.094870|2.323953|1.816952|2.342539|4.482878|1.975687|2.546967|1.877273|2.412747|1.668042|1.554489|1.457766|1.451044|1.539971|1.658169|1.757461|3.065306|4.851762|0.301964|0.500000|
|17.514763|8.747999|6.787891|6.889383|6.197799|3.839261|3.024260|2.732805|4.148543|4.090587|0.075244|3.773813|6.864545|3.553871|2.267201|2.214307|2.465126|1.893815|2.504594|4.860870|2.107356|2.743558|2.069834|2.669328|1.813973|1.690739|1.563437|1.534806|1.622935|1.770069|1.862714|3.190082|5.598156|0.301905|0.301057|0.500000|
|8.927649|17.578305|8.919390|8.980794|9.557996|4.941550|3.923354|3.814588|5.575674|6.331869|0.115540|6.574216|12.930668|4.250067|2.606012|2.370157|2.535714|2.014675|2.985489|5.948786|2.413549|3.104459|2.239636|2.848967|1.989481|1.824805|1.713685|1.728599|1.863578|2.013140|2.162457|3.799728|5.967923|0.212793|0.214316|0.173503|0.500000|
|6.880729|8.814085|17.562809|5.448491|6.365637|4.152415|3.382932|3.082969|4.694934|4.526638|0.083046|3.994086|6.914583|3.996856|2.415002|2.242625|2.336004|1.903236|3.024377|6.380206|2.487976|3.360394|2.525228|3.306930|2.293710|2.132755|1.976123|1.946772|2.063981|2.248910|2.333629|3.961525|5.777642|0.207841|0.141128|0.167048|0.215443|0.500000|
|6.885563|8.741606|17.488632|6.625493|7.279381|5.057208|3.831450|3.249020|4.859556|4.599143|0.081832|4.075712|6.692121|4.565692|2.722716|2.597380|2.773275|2.148972|3.403941|7.124040|2.746924|3.647405|2.806457|3.602872|2.402911|2.199193|1.989301|1.936539|2.067808|2.312605|2.432893|4.063598|8.038919|0.172934|0.139820|0.202685|0.173334|0.303183|0.500000|
|5.470478|8.706096|17.553915|6.735932|9.182229|6.307292|4.821725|4.145887|6.034408|5.911548|0.102793|5.215952|8.126630|5.452875|3.086751|2.779052|2.864338|2.280299|4.152864|9.266455|3.179619|4.188466|3.089343|3.895410|2.657297|2.380589|2.173443|2.164470|2.361369|2.642037|2.841656|4.814567|8.497125|0.140973|0.122207|0.139081|0.210776|0.303179|0.299694|0.500000|
|6.844447|8.750508|6.730113|17.642504|12.448901|7.306874|4.840909|4.014671|5.705275|5.938033|0.101372|5.821741|9.223681|5.261800|3.235210|3.135793|3.671541|2.539661|3.458330|6.548441|2.741365|3.393731|2.509691|3.098231|2.063978|1.860656|1.699544|1.686586|1.829979|2.041390|2.233884|3.843249|10.879018|0.139840|0.169350|0.202317|0.174312|0.138088|0.194809|0.167233|0.500000|
|7.174145|8.884293|5.474509|17.670740|12.605403|5.864962|4.380454|4.104909|5.841903|6.827143|0.119882|7.626304|14.289522|4.607723|2.933831|2.757846|3.170734|2.316610|2.994612|5.583394|2.423036|2.996518|2.161134|2.690777|1.839473|1.671825|1.555624|1.564503|1.696203|1.854379|2.030071|3.574754|7.041648|0.144629|0.217000|0.175509|0.215900|0.123377|0.138289|0.138565|0.304825|0.500000|
|2.286209|2.705217|2.667202|3.245046|5.672001|5.265718|7.671342|7.145429|13.342433|6.740958|0.120511|4.056119|5.851578|12.546830|17.654587|8.846068|6.985936|6.756592|5.815984|7.934850|4.986915|4.945120|3.148377|3.556203|2.408081|2.048845|1.888451|1.966126|2.269550|2.576102|3.181798|5.936408|6.066691|0.057579|0.061901|0.062624|0.073567|0.065319|0.072461|0.082466|0.089830|0.085067|0.500000|
|2.059143|2.414850|2.484683|2.758334|4.629290|4.302415|5.884383|5.274687|10.406945|5.212877|0.095828|3.249031|4.824021|12.393536|17.628728|8.829788|5.491956|7.295450|7.234172|8.885033|7.664208|6.630208|3.936340|4.266632|2.877795|2.376144|2.170262|2.277693|2.697431|3.144745|4.114239|7.745642|5.372060|0.052818|0.054955|0.056735|0.065549|0.061877|0.068199|0.077700|0.077075|0.071051|0.308143|0.500000|
|2.157420|2.471815|2.578063|2.867535|4.526610|4.321879|4.937450|3.862339|6.589527|4.255590|0.076739|2.931374|4.424253|9.557700|8.875102|17.487946|8.920447|8.916727|5.991405|8.146725|6.074807|6.047489|4.234743|4.546923|2.840289|2.375371|2.096831|2.102004|2.396080|2.855025|3.450629|5.836855|6.362003|0.054789|0.056983|0.061497|0.064380|0.063319|0.074296|0.078426|0.085281|0.072891|0.174340|0.206760|0.500000|
|2.238259|2.482034|2.456402|3.005426|4.518130|4.015936|4.141061|3.403065|5.613285|4.052043|0.073587|2.917529|4.510665|6.289368|5.458936|8.798278|17.545575|6.936786|3.757136|5.764528|3.480706|3.896910|2.823032|3.284571|2.117675|1.855610|1.672586|1.667719|1.845626|2.108531|2.415303|4.173910|5.945711|0.055776|0.060476|0.064852|0.063840|0.059993|0.071443|0.071530|0.092334|0.079370|0.141654|0.123244|0.214110|0.500000|
|2.751041|3.182999|3.140286|4.067976|6.444894|6.339569|6.251487|4.550102|6.974350|5.300823|0.091725|3.885164|5.724399|8.988365|6.750861|8.722602|17.596857|5.480963|4.871848|7.484506|4.017349|4.397787|3.156181|3.615317|2.322004|2.010817|1.805275|1.805520|2.015282|2.323349|2.696084|4.648427|9.661910|0.067176|0.073364|0.079320|0.080542|0.074160|0.091077|0.093024|0.127330|0.103503|0.173150|0.137627|0.212011|0.302267|0.500000|
|2.360409|2.675476|2.564406|3.347516|5.322710|4.696157|5.152327|4.382216|7.172996|5.121866|0.092200|3.559435|5.382035|7.283577|6.771499|8.786933|17.527465|6.862604|3.958944|5.993275|3.498170|3.818574|2.653210|3.088338|2.042712|1.786454|1.633560|1.655516|1.848450|2.086528|2.428443|4.320957|6.177262|0.058326|0.064736|0.066767|0.070148|0.062258|0.072294|0.075442|0.098992|0.090240|0.207201|0.141928|0.173689|0.301766|0.301634|0.500000|
|1.752883|1.972766|2.010951|2.239501|3.513550|3.088267|3.651858|3.311475|6.210490|3.692891|0.069821|2.446452|3.798448|6.369668|6.914248|8.734439|5.484084|17.539974|4.135372|5.851475|4.699522|4.904004|3.226992|3.652723|2.433248|2.077308|1.896820|1.949014|2.226931|2.547393|3.081312|5.556977|4.161191|0.045134|0.047217|0.049179|0.052925|0.050734|0.056523|0.060586|0.064293|0.058987|0.164563|0.218553|0.213539|0.141663|0.122257|0.139622|0.500000|
|1.789727|1.982238|1.995523|2.285434|3.491826|3.034863|3.390323|3.002447|5.367448|3.480462|0.065396|2.386013|3.739755|5.545899|5.509708|8.775532|6.960036|17.557870|3.516559|5.204900|3.687558|4.064068|2.835951|3.284053|2.155930|1.878032|1.707769|1.724717|1.927328|2.191054|2.550183|4.491088|4.231710|0.045718|0.048447|0.050885|0.052464|0.050067|0.056906|0.058988|0.067081|0.060730|0.139364|0.145320|0.212465|0.210177|0.141536|0.171677|0.301697|0.500000|
|1.838815|2.064391|2.042979|2.406319|3.797208|3.275632|3.865099|3.601459|6.688132|4.070227|0.077120|2.682897|4.165833|6.197283|6.919219|8.767703|6.803515|17.529310|3.695847|5.382000|3.746260|4.008375|2.679790|3.103688|2.088817|1.815284|1.674730|1.721137|1.943514|2.181385|2.587399|4.720852|4.282129|0.046840|0.050214|0.051451|0.055506|0.051171|0.057059|0.060906|0.068900|0.064637|0.200402|0.182920|0.173515|0.168796|0.139187|0.202107|0.301598|0.301874|0.500000|
|2.031152|2.359222|2.564418|2.591110|4.131577|3.868513|4.599354|3.786926|6.786970|4.095078|0.075017|2.751240|4.171908|9.469728|6.945274|6.418054|4.460996|5.163744|8.789074|10.901338|17.608329|12.512354|7.226590|6.698451|4.122716|3.182806|2.750117|2.803314|3.367643|4.315034|5.871028|9.374151|5.455510|0.052778|0.052979|0.056922|0.062700|0.064404|0.072547|0.080637|0.074349|0.064993|0.139495|0.220323|0.226040|0.110367|0.121206|0.105188|0.159656|0.122836|0.117218|0.500000|
|1.978456|2.325489|2.506518|2.517464|4.117713|3.736856|4.726384|4.280958|8.292517|4.483221|0.083687|2.874310|4.351136|9.213133|6.562963|4.956286|3.679441|4.308364|8.880848|11.166286|17.669354|12.663294|5.792238|5.911746|4.100838|3.161034|2.854589|3.073003|3.892335|4.848565|7.668718|14.863570|4.844421|0.051804|0.051919|0.054318|0.063491|0.063743|0.068625|0.080081|0.069798|0.063667|0.143851|0.242908|0.145044|0.089290|0.100356|0.093303|0.135294|0.099938|0.107112|0.302356|0.500000|
|2.130835|2.445251|2.809411|2.572224|3.886143|3.531251|3.704128|3.029213|5.157349|3.519923|0.064508|2.504355|3.879559|6.396421|4.069230|4.059420|3.431670|3.354075|6.270348|10.862711|7.488990|12.573890|17.712467|12.867181|5.861191|4.318099|3.386128|3.202245|3.686342|5.051797|5.712166|7.845947|5.455108|0.056150|0.054298|0.060676|0.063679|0.071451|0.082355|0.087905|0.075212|0.063223|0.092440|0.113808|0.140231|0.089812|0.100490|0.081399|0.096691|0.087598|0.080123|0.221025|0.148833|0.500000|
|1.674726|1.842781|2.131886|1.804360|2.594609|2.116748|2.151973|1.960148|3.424497|2.443028|0.046791|1.763534|2.880181|3.234857|2.152144|2.080837|1.893356|1.899444|2.847323|5.473613|3.119226|5.509042|4.948439|9.986067|8.939644|17.743312|8.893745|5.611466|4.937492|5.649628|4.141920|5.949345|3.067939|0.046196|0.042799|0.047034|0.049438|0.058573|0.061051|0.064386|0.051096|0.045536|0.053883|0.061637|0.063894|0.050753|0.054669|0.048235|0.055125|0.050760|0.048442|0.082409|0.078843|0.116459|0.500000|
|1.486336|1.627854|1.846952|1.580228|2.278398|1.815392|1.867716|1.764549|3.138186|2.226373|0.043417|1.591586|2.633876|2.748006|1.855192|1.759063|1.605739|1.639236|2.361203|4.494282|2.564259|4.325672|3.396280|5.736984|5.648942|8.978010|17.712896|8.885395|5.658011|4.965942|3.592053|5.576348|2.544185|0.041380|0.038385|0.041151|0.044567|0.051559|0.051602|0.055579|0.043971|0.040416|0.047475|0.053755|0.052522|0.042833|0.045935|0.041748|0.047807|0.043553|0.042609|0.066549|0.068315|0.081080|0.214430|0.500000|
|1.463622|1.623363|1.812644|1.585682|2.332403|1.852373|1.955110|1.899298|3.457354|2.380920|0.046986|1.665457|2.752043|2.873235|1.951506|1.797667|1.619790|1.689724|2.468578|4.635849|2.709453|4.505574|3.203023|4.937737|4.932108|5.634328|8.866879|17.727926|8.951086|5.643759|4.135180|6.899463|2.517624|0.040603|0.038115|0.039987|0.045183|0.050396|0.049557|0.055256|0.043476|0.040785|0.050396|0.057629|0.052731|0.042662|0.045962|0.042610|0.049773|0.044217|0.044408|0.068325|0.075456|0.075491|0.123650|0.214556|0.500000|
|1.614729|1.833662|2.035579|1.824949|2.771471|2.247926|2.465081|2.417439|4.511701|2.933871|0.057733|1.993127|3.229288|3.718467|2.510775|2.224788|1.946434|2.076940|3.301087|6.072565|3.777766|6.435737|4.029752|5.686269|5.630487|4.938184|5.633298|8.905947|17.749790|8.936925|7.145442|13.199919|2.986870|0.044187|0.042132|0.043853|0.051278|0.055443|0.055040|0.063567|0.049699|0.046715|0.064188|0.076320|0.064900|0.050331|0.054927|0.051186|0.062083|0.053104|0.054504|0.090285|0.110201|0.091583|0.107313|0.123943|0.213732|0.500000|
|4.664941|6.171121|7.198765|7.480387|10.238295|9.480640|5.984140|4.339732|6.192565|5.698063|0.095790|4.895392|7.195253|6.978625|3.894194|3.741684|4.126809|2.878816|4.871010|9.801438|3.621769|4.492246|3.407075|4.093812|2.630591|2.308914|2.053490|2.018519|2.217716|2.559550|2.832439|4.722290|26.048129|0.110139|0.110701|0.136954|0.136122|0.144058|0.233334|0.216345|0.258298|0.149380|0.100877|0.092224|0.107386|0.102006|0.148198|0.103157|0.073862|0.075186|0.075167|0.097260|0.087601|0.104940|0.063371|0.052351|0.051063|0.059270|0.500000|
|3.358585|4.185619|4.677953|5.029736|8.134687|9.658380|7.654981|4.863885|7.081159|5.683309|0.095373|4.360347|6.243377|10.719522|5.444718|5.261405|5.498694|3.699762|7.273786|13.218665|4.985934|5.754039|4.309128|4.831047|3.001129|2.538337|2.221958|2.195408|2.467332|2.938653|3.397396|5.594248|26.048997|0.082598|0.084072|0.096601|0.102058|0.104859|0.140026|0.149616|0.157837|0.113258|0.129981|0.123370|0.157992|0.129423|0.205715|0.127061|0.094320|0.094477|0.093065|0.136944|0.114092|0.139672|0.068937|0.055801|0.054871|0.065831|0.323331|0.500000|
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