Version2.4
2021-06-07T00:41:03Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
12-Apr-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)cccc2Cn3cc(cn3)NC(=S)Nc4ccc(cc4)S(=O)(=O)[N-]c5ncccn5 C20533995
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)cccc2Cn3cc(cn3)NC(=S)Nc4ccc(cc4)S(=O)(=O)[N-]c5ncccn5
C01[X(C25H20N7O2S2)]
162
C1
588
S=C(Nc1cnn(c1)Cc1cccc2c1cccc2)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1
S=C(Nc1cnn(c1)Cc1cccc2c1cccc2)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1
O=[S](=O)([N-]c1ncccn1)c2ccc(NC(=S)Nc3cnn(Cc4cccc5ccccc45)c3)cc2
InChIKey=XTOIQXBRUCUDFC-UHFFFAOYSA-M
InChI=1S/C25H21N7O2S2/c33-36(34,31-24-26-13-4-14-27-24)22-11-9-20(10-12-22)29-25(35)30-21-15-28-32(17-21)16-19-7-3-6-18-5-1-2-8-23(18)19/h1-15,17H,16H2,(H3,26,27,29,30,31,35)/p-1
InChI=1/C25H21N7O2S2/c33-36(34,31-24-26-13-4-14-27-24)22-11-9-20(10-12-22)29-25(35)30-21-15-28-32(17-21)16-19-7-3-6-18-5-1-2-8-23(18)19/h1-15,17H,16H2,(H3,26,27,29,30,31,35)/p-1/fC25H20N7O2S2/h29-30H/q-1
c1ccc2c(c1)cccc2Cn3cc(cn3)NC(=S)Nc4ccc(cc4)S(=O)(=O)[N-]c5ncccn5
C01[X(C25H20N7O2S2)]
162
C01
588
S=C(Nc1cnn(c1)Cc1cccc2c1cccc2)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1
S[C]([NH][C]1[CH][CH][C]([CH][CH]1)[S]([N][C]1[N][CH][CH][CH][N]1)([O])[O])N[C]1[CH][N][N]([CH]1)C[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2
[O][S]([O])([N][C]1[N][CH][CH][CH][N]1)[C]2[CH][CH][C]([CH][CH]2)N[C](S)N[C]3[CH][N]N([CH]3)CC4=CC=C[C]5C=CC=C[C]45
InChIKey=ZCDXDOJKCFGQOD-UHFFFAOYSA-N
InChI=1S/C25H21N7O2S2/c33-36(34,31-24-26-13-4-14-27-24)22-11-9-20(10-12-22)29-25(35)30-21-15-28-32(17-21)16-19-7-3-6-18-5-1-2-8-23(18)19/h1-15,17,29-30,35H,16H2
InChI=1/C25H21N7O2S2/c33-36(34,31-24-26-13-4-14-27-24)22-11-9-20(10-12-22)29-25(35)30-21-15-28-32(17-21)16-19-7-3-6-18-5-1-2-8-23(18)19/h1-15,17,29-30,35H,16H2
3657.9742194313
-2284.1902574
1-A
41662.8353
134
454
588
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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8.00498
-30.3561 -3.9809 5.7955
31.1598
|XX|YY|ZZ|XY|XZ|YZ|
-429.4765 -233.6942 -227.5956 18.9813 23.5255 6.1719
|XX|YY|ZZ|XY|XZ|YZ|
-132.5544 63.2279 69.3265 18.9813 23.5255 6.1719
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-1330.9954 -35.9141 24.3437 -50.7521 -76.9830 68.2330 -153.9728 -0.7631 3.2888 30.5728
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-62840.9063 -2778.7533 -2212.4788 875.0857 519.7877 294.7600 44.0339 16.8106 10.9637 -9351.3031 -9469.0026 -823.1460 -8.0329 97.3526 99.9754
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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|
3.7403 6.8788 13.6603 14.4084 19.9652 25.3943 34.3290 46.1004 50.0893 54.9099 80.5916 83.5085 93.9215 124.4797 139.1264 177.1036 180.3381 191.6602 206.2139 210.4419 222.2275 259.5832 273.2311 311.0074 315.9083 342.5811 367.6497 371.2555 378.3416 404.3785 444.4327 456.8126 460.4639 465.6720 468.3001 476.8025 520.4588 521.4398 542.1478 545.4980 546.8391 559.6151 575.7120 593.8883 607.6739 627.4285 651.3579 665.7877 678.5254 694.0722 695.4189 702.2898 716.1237 719.1020 726.1816 764.1823 779.5652 784.7928 820.6354 827.5574 832.9389 833.8313 856.6046 866.3108 867.2098 884.9642 906.9012 916.1346 941.4707 953.0200 955.2566 980.9748 984.7754 1000.3031 1013.3864 1034.6086 1057.2554 1069.0260 1082.0060 1089.3058 1092.8652 1095.0119 1097.0967 1100.5430 1105.9660 1114.0455 1120.1047 1128.0027 1129.7256 1136.4406 1147.6873 1153.8943 1164.7473 1178.9196 1185.3361 1205.2963 1229.7128 1249.3987 1274.5230 1277.0811 1278.1241 1283.3635 1290.5159 1292.0053 1298.9325 1309.4827 1334.5807 1355.2626 1368.6803 1373.8252 1380.3756 1399.1285 1411.8746 1440.5920 1449.5792 1456.1469 1473.1665 1501.2453 1525.0254 1529.9310 1532.6800 1551.7826 1552.5906 1585.4534 1607.7819 1612.0182 1616.9341 1620.3723 1628.7057 1661.2714 1675.2045 1686.2532 1705.6726 1725.3650 1726.2112 1778.1911 1790.7522 1796.1375 1809.3248 1811.0455 1815.7572 1839.7756 3248.4008 3304.2654 3312.8853 3320.1677 3351.3674 3355.3997 3363.4822 3365.2244 3366.5723 3381.8519 3382.3767 3385.2039 3388.7492 3408.8980 3416.0693 3418.8054 3432.1865 3477.5828 3825.0080 3840.4224
7.1787 6.6743 4.9133 4.7570 13.6307 6.9690 6.1420 6.5137 5.5373 5.6527 6.4585 6.8806 9.1387 6.3302 5.6639 6.8506 7.9925 4.4299 8.0011 6.7730 8.9206 3.4200 1.1884 4.4249 5.3313 5.5804 8.5201 5.1095 8.5693 7.2847 4.4771 3.5279 3.4061 3.2364 4.1485 3.4772 1.2650 3.1967 4.3194 4.8046 5.7297 5.7833 9.1378 4.4228 3.9432 7.2240 4.4280 5.3276 3.8960 7.2188 7.2058 4.7392 8.3264 5.9244 5.3066 7.2551 4.4033 4.6177 2.3879 4.7375 1.8727 1.1999 5.0556 7.1660 4.2170 2.1399 1.6602 10.9949 1.2712 2.2926 2.3371 1.4072 1.6365 2.3258 2.2413 1.5111 2.1105 10.4663 4.1189 1.4264 1.9917 6.3346 1.8515 1.4643 1.3554 1.3544 3.1032 1.3785 1.3338 2.8882 2.1654 2.4099 3.5121 2.7231 1.8341 4.9956 1.8259 5.0054 1.7055 2.3240 1.8959 3.5183 1.2115 1.1931 1.6382 1.3829 1.7051 2.3278 1.7150 14.2447 2.3737 1.8795 1.6077 1.3283 3.0757 2.6250 4.3719 3.0825 3.6337 1.9636 1.8045 1.8860 2.7475 4.6797 2.0055 3.9818 3.1452 3.2221 2.2512 1.1801 2.1116 3.0166 2.2376 1.5137 5.5400 6.4565 6.6504 5.5881 4.8025 5.5471 5.6166 5.6786 1.0675 1.0899 1.1001 1.0904 1.0876 1.0876 1.0926 1.0918 1.0921 1.0969 1.0919 1.0979 1.0968 1.0949 1.0938 1.0942 1.0986 1.1011 1.0769 1.0759
0.0001 0.0002 0.0005 0.0006 0.0032 0.0026 0.0043 0.0082 0.0082 0.0100 0.0247 0.0283 0.0475 0.0578 0.0646 0.1266 0.1531 0.0959 0.2005 0.1767 0.2596 0.1358 0.0523 0.2522 0.3135 0.3859 0.6785 0.4149 0.7227 0.7018 0.5210 0.4338 0.4255 0.4135 0.5360 0.4658 0.2019 0.5121 0.7480 0.8424 1.0095 1.0671 1.7845 0.9191 0.8579 1.6755 1.1069 1.3914 1.0568 2.0489 2.0532 1.3772 2.5158 1.8050 1.6488 2.4962 1.5766 1.6757 0.9475 1.9116 0.7655 0.4915 2.1856 3.1687 1.8685 0.9874 0.8045 5.4370 0.6638 1.2268 1.2565 0.7978 0.9350 1.3712 1.3562 0.9530 1.3899 7.0472 2.8411 0.9972 1.4015 4.4752 1.3130 1.0449 0.9768 0.9904 2.2939 1.0334 1.0029 2.1977 1.6805 1.8905 2.8072 2.2299 1.5183 4.2759 1.6268 4.6035 1.6323 2.2332 1.8247 3.4141 1.1888 1.1734 1.6285 1.3971 1.7893 2.5191 1.8929 15.8405 2.6648 2.1678 1.8882 1.6242 3.8079 3.2793 5.5901 4.0932 4.9791 2.7080 2.4975 2.6757 3.9022 6.9307 3.0544 6.0964 4.8448 4.9844 3.5185 1.9189 3.4914 5.0538 3.8356 2.6550 9.7263 12.0283 12.5652 10.6216 9.2630 10.7196 10.9104 11.3245 6.6366 7.0111 7.1138 7.0820 7.1969 7.2142 7.2825 7.2846 7.2924 7.3912 7.3599 7.4125 7.4210 7.4964 7.5207 7.5352 7.6250 7.8460 9.2833 9.3491
0.1960 3.4817 0.7328 0.2930 5.8811 0.1661 0.4612 6.4120 3.3357 1.9930 0.4961 0.3235 2.8328 2.7313 2.2606 3.1299 4.5437 0.1028 0.3865 6.7575 3.5647 4.5776 3.9123 3.1214 2.1974 4.2926 0.8152 18.6353 6.8040 2.3600 0.1533 13.7837 1.0398 9.4783 0.8454 4.2143 122.1353 1.0423 23.3916 26.5906 0.2687 2.8484 41.9646 14.3513 0.5267 45.7551 1.7559 72.0290 24.4722 9.2341 2.6091 7.0188 30.6667 14.0228 67.1030 177.8925 11.7223 89.9145 48.0501 56.2444 21.5106 38.4130 3.7187 68.3894 94.7749 54.8219 46.6773 44.7204 1.3616 2.4632 6.2954 2.5289 0.1945 4.5892 18.2448 7.6099 26.3142 29.6874 2.0439 35.2338 75.8279 351.3689 3.5688 0.0148 0.1513 4.3241 2.5765 0.0039 0.3486 38.3527 1.9938 16.0787 0.3597 24.7755 0.1227 373.2811 3.5374 84.9913 8.6652 27.8844 20.2016 28.4090 7.0213 4.0726 92.7945 3.5560 6.1956 28.6727 4.4482 245.6613 411.6050 4.4292 41.5104 29.1053 311.8388 70.2944 8.5857 17.2017 45.0450 58.2808 150.0869 6.1678 12.6242 33.1393 17.9642 1456.0617 934.5183 4.6447 0.8370 12.8500 3.1346 13.1251 681.8945 14.4368 210.2994 11.1406 0.8725 38.4967 6.0634 12.8642 536.1860 0.0483 31.9887 88.4701 5.6950 76.1380 0.6970 0.8176 9.6529 22.8275 35.5181 50.5346 15.3011 29.4518 41.9977 6.1322 2.5759 1.9734 10.5977 0.3078 18.5748 41.4001
1.5686 1.6198 11.4372 5.7827 2.2747 1.9690 2.3780 8.1960 2.7200 3.1372 0.7625 5.3243 1.7477 3.5002 3.6352 1.4304 0.7763 0.2073 0.4481 2.2007 0.4156 0.6492 7.2139 1.4129 4.1593 3.4196 1.0227 1.5206 3.8670 3.1733 1.4266 0.5371 0.7011 4.6617 0.9575 0.9583 1.3636 0.1665 2.0985 1.5647 6.8172 9.1013 0.8560 3.9176 0.5735 8.2211 0.4394 1.9132 2.0533 6.0767 4.1151 2.5190 1.3925 1.5893 0.9293 12.8252 16.3408 8.7243 4.9671 3.9630 3.1089 0.3090 0.6337 31.2690 3.2250 9.5153 3.2124 0.1658 2.2773 3.0098 1.2693 0.5312 1.5429 7.0285 9.9643 4.1954 2.0179 31.2857 4.6942 3.3495 8.3172 1.8212 8.4421 5.2136 0.1335 2.4830 1.4234 3.8891 1.2991 20.0089 2.7434 2.5925 7.5262 19.3643 0.7546 12.9425 3.6385 13.3219 9.7481 10.5297 4.1721 0.6322 4.5052 11.0330 1.1422 2.2001 7.5214 13.7538 0.8726 2.3882 8.0275 6.7767 3.1306 1.5653 4.9700 18.1321 139.8727 87.3339 38.7943 4.8544 7.4810 2.5657 0.2615 39.5371 29.4882 5.3492 4.6730 5.8223 6.4049 20.4600 2.0239 4.8813 26.7142 11.3569 2.0305 3.3205 100.6552 15.6306 4.3003 89.9471 149.4690 2.6895 85.8958 153.8729 50.5688 132.4554 32.3095 40.6417 89.7704 77.5411 128.4273 129.0169 66.3695 295.2614 213.4738 108.0202 65.2669 94.1225 102.9402 20.0431 34.8184 168.7091
0.7416 0.7426 0.7451 0.7346 0.7490 0.7239 0.7361 0.7390 0.7216 0.7448 0.4808 0.7182 0.7374 0.5542 0.6663 0.7496 0.4522 0.6801 0.6782 0.5237 0.6422 0.7498 0.3774 0.7466 0.6734 0.7394 0.7368 0.6941 0.3138 0.5671 0.5276 0.6504 0.6191 0.6520 0.7423 0.6985 0.7226 0.3879 0.5476 0.7451 0.6435 0.2703 0.5588 0.2009 0.7470 0.4983 0.6591 0.6643 0.2294 0.7312 0.6405 0.7065 0.4283 0.3127 0.6303 0.0988 0.1666 0.0773 0.4643 0.2534 0.3686 0.7468 0.5123 0.0883 0.7499 0.2885 0.3134 0.7455 0.7143 0.2507 0.2323 0.5457 0.7340 0.2407 0.3917 0.6041 0.7476 0.2140 0.3487 0.5988 0.0437 0.4239 0.1268 0.7499 0.6037 0.4770 0.1655 0.7500 0.6568 0.1965 0.3951 0.7472 0.1770 0.1120 0.7257 0.4197 0.6568 0.0590 0.4448 0.6084 0.1677 0.5498 0.4796 0.2713 0.3294 0.4746 0.6727 0.1074 0.6391 0.7455 0.7256 0.5946 0.7498 0.4335 0.1297 0.2150 0.1892 0.1456 0.2352 0.1870 0.5617 0.3953 0.5860 0.1909 0.4472 0.3913 0.2775 0.6484 0.4790 0.7499 0.4427 0.2390 0.6663 0.2960 0.6993 0.6915 0.4867 0.2116 0.6892 0.4510 0.3944 0.5310 0.0859 0.3679 0.4741 0.4338 0.7472 0.4777 0.7239 0.3934 0.7425 0.2288 0.4199 0.1380 0.2171 0.1317 0.2296 0.1728 0.3134 0.2887 0.1291 0.1323
0.8516 0.8523 0.8540 0.8470 0.8565 0.8399 0.8480 0.8499 0.8383 0.8538 0.6494 0.8360 0.8489 0.7132 0.7997 0.8569 0.6228 0.8096 0.8083 0.6874 0.7821 0.8570 0.5480 0.8549 0.8048 0.8502 0.8485 0.8194 0.4777 0.7237 0.6908 0.7882 0.7647 0.7894 0.8521 0.8225 0.8389 0.5589 0.7077 0.8540 0.7831 0.4256 0.7170 0.3346 0.8552 0.6651 0.7945 0.7983 0.3731 0.8447 0.7809 0.8280 0.5997 0.4764 0.7733 0.1799 0.2857 0.1434 0.6341 0.4043 0.5387 0.8551 0.6775 0.1623 0.8571 0.4478 0.4772 0.8542 0.8333 0.4009 0.3770 0.7061 0.8466 0.3880 0.5630 0.7532 0.8556 0.3526 0.5171 0.7490 0.0838 0.5954 0.2251 0.8570 0.7529 0.6459 0.2840 0.8571 0.7928 0.3284 0.5664 0.8553 0.3007 0.2015 0.8411 0.5913 0.7929 0.1115 0.6157 0.7565 0.2873 0.7095 0.6483 0.4268 0.4956 0.6437 0.8043 0.1939 0.7798 0.8542 0.8410 0.7457 0.8570 0.6048 0.2297 0.3539 0.3182 0.2542 0.3808 0.3151 0.7194 0.5666 0.7389 0.3206 0.6180 0.5625 0.4345 0.7867 0.6477 0.8571 0.6137 0.3858 0.7998 0.4568 0.8230 0.8176 0.6547 0.3492 0.8160 0.6216 0.5657 0.6937 0.1582 0.5379 0.6432 0.6051 0.8553 0.6465 0.8399 0.5646 0.8522 0.3724 0.5914 0.2425 0.3567 0.2328 0.3735 0.2947 0.4773 0.4481 0.2287 0.2336
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
6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 7 6 16 7 6 6 6 6 6 6 16 8 8 7 6 7 6 6 6 7 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 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
6193.3452 74696.1977 75268.2147
1.00000 0.00107 0.00139 -0.00110 0.99966 0.02598 -0.00136 -0.02598 0.99966
1
0.01398 0.00116 0.00115
0.29140 0.02416 0.02398
5.38 9.90 19.65 20.73 28.73 36.54 49.39 66.33 72.07 79.00 115.95 120.15 135.13 179.10 200.17 254.81 259.47 275.76 296.70 302.78 319.74 373.48 393.12 447.47 454.52 492.90 528.97 534.15 544.35 581.81 639.44 657.25 662.50 670.00 673.78 686.01 748.82 750.24 780.03 784.85 786.78 805.16 828.32 854.47 874.31 902.73 937.16 957.92 976.25 998.62 1000.55 1010.44 1030.34 1034.63 1044.81 1099.49 1121.62 1129.14 1180.71 1190.67 1198.41 1199.70 1232.46 1246.43 1247.72 1273.27 1304.83 1318.11 1354.57 1371.18 1374.40 1411.40 1416.87 1439.21 1458.04 1488.57 1521.15 1538.09 1556.77 1567.27 1572.39 1575.48 1578.48 1583.44 1591.24 1602.86 1611.58 1622.94 1625.42 1635.08 1651.27 1660.20 1675.81 1696.20 1705.43 1734.15 1769.28 1797.61 1833.75 1837.43 1838.94 1846.47 1856.76 1858.91 1868.87 1884.05 1920.16 1949.92 1969.23 1976.63 1986.05 2013.03 2031.37 2072.69 2085.62 2095.07 2119.56 2159.96 2194.17 2201.23 2205.18 2232.67 2233.83 2281.11 2313.24 2319.33 2326.41 2331.35 2343.34 2390.20 2410.25 2426.14 2454.08 2482.42 2483.63 2558.42 2576.49 2584.24 2603.21 2605.69 2612.47 2647.03 4673.72 4754.10 4766.50 4776.98 4821.87 4827.67 4839.30 4841.81 4843.75 4865.73 4866.49 4870.55 4875.65 4904.64 4914.96 4918.90 4938.15 5003.47 5503.33 5525.51
0.453767
0.482205
0.483149
0.384114
-2283.736491
-2283.708053
-2283.707109
-2283.806143
3.321617D-04
MUNgauss
RevisionA2.1
retrievium
07-Jun-2021
DUDE c1ccc2c(c1)cccc2Cn3cc(cn3)NC(=S)Nc4ccc(cc4)S(=O)(=O)[N-]c5ncccn5 C20533995
RHF
6-31G(d)
(6D,10F)
C1
514.111992
|X|Y|Z|
41.372530 44.745148 194.803626
71.178969
33
|36.858105|
|13.482710|36.858105|
|7.906800|14.004411|36.858105|
|6.782129|7.873053|13.398580|36.858105|
|7.885915|6.826962|7.831405|13.506157|36.858105|
|14.023507|7.941199|6.845616|7.798534|13.427612|36.858105|
|5.127724|4.522202|5.098179|7.782615|13.395146|7.703450|36.858105|
|3.946587|3.783761|4.504984|6.784886|7.899544|5.137368|14.068710|36.858105|
|3.786206|3.941468|5.106752|7.892192|6.840627|4.531943|7.940155|13.445529|36.858105|
|4.490041|5.088176|7.599261|13.281139|7.775918|5.082407|6.790604|7.857580|14.001519|36.858105|
|3.652940|4.377192|6.367026|7.411262|4.949027|3.800168|4.411509|5.008787|7.679532|12.584978|36.858105|
|3.458706|4.229674|5.881283|5.973866|4.242849|3.465911|3.734279|4.052854|5.496299|7.671417|13.122318|53.358707|
|3.195420|3.722855|4.790904|5.058351|3.931825|3.259679|3.598530|3.927879|5.062635|6.159736|7.597308|19.387759|36.858105|
|2.858085|3.346177|4.050170|3.949798|3.211044|2.817738|2.920780|3.082809|3.723030|4.386601|5.308301|11.951601|13.960055|36.858105|
|2.876662|3.500693|4.261910|3.885020|3.082169|2.750740|2.735531|2.845396|3.445035|4.216990|5.480905|12.343730|8.702724|13.533632|36.858105|
|3.195510|4.014832|5.247565|4.714114|3.520347|3.059608|3.064051|3.209205|4.044735|5.297092|7.910464|19.416887|8.589104|8.515973|14.623779|53.358707|
|2.519391|2.846972|3.260857|3.206972|2.761291|2.491362|2.569721|2.686653|3.093738|3.446381|3.868066|7.315949|7.637830|13.549241|7.555404|7.220066|53.358707|
|2.179921|2.401543|2.715339|2.744839|2.428707|2.190990|2.332201|2.480105|2.821248|3.004195|3.331414|5.833439|5.765559|7.702428|5.315648|5.630871|19.067332|36.858105|
|2.028487|2.217308|2.542178|2.646500|2.342739|2.074122|2.308546|2.536577|2.938661|3.026393|3.429632|5.722352|5.411316|6.078472|4.616272|5.334559|9.691171|11.367615|388.023441|
|2.000961|2.170506|2.384008|2.389994|2.170400|2.001934|2.091565|2.188231|2.414464|2.541598|2.731835|4.571952|4.232639|5.290999|4.101490|4.495729|11.546806|14.207999|50.721544|53.358707|
|1.756533|1.876071|2.037982|2.063246|1.908273|1.769977|1.869789|1.963759|2.134222|2.196534|2.333377|3.742437|3.322988|3.860550|3.187658|3.664606|7.129219|7.630897|42.580857|18.089670|36.858105|
|1.596730|1.710014|1.851865|1.861647|1.718816|1.600825|1.683305|1.769614|1.927066|1.985126|2.136252|3.381758|2.893624|3.353646|2.921185|3.386444|5.805422|5.772454|37.052046|10.607154|13.773942|36.858105|
|1.442817|1.528901|1.641137|1.657368|1.549850|1.451787|1.530966|1.607474|1.728619|1.759921|1.870964|2.888873|2.421910|2.710508|2.412949|2.877460|4.460943|4.136418|28.437731|6.994443|7.960785|13.757183|36.858105|
|1.414074|1.481779|1.581259|1.609862|1.524615|1.432237|1.518698|1.591447|1.689194|1.701276|1.776716|2.710243|2.278339|2.489197|2.195995|2.658024|4.056474|3.675622|25.234751|6.186974|6.897441|7.943213|13.760930|36.858105|
|1.521797|1.586255|1.693094|1.735965|1.653111|1.550100|1.652612|1.729863|1.825435|1.830318|1.887032|2.887809|2.473106|2.678073|2.303558|2.787840|4.438661|4.045372|26.840000|7.014378|7.951833|6.868766|7.937181|13.760043|36.858105|
|1.705888|1.791457|1.927677|1.975567|1.863421|1.735851|1.849767|1.937792|2.064878|2.088490|2.160914|3.380957|2.983249|3.293507|2.733151|3.243358|5.757547|5.536159|33.750298|10.681230|13.760915|7.932782|6.879640|7.953169|13.767087|36.858105|
|1.253329|1.303077|1.379054|1.404843|1.343453|1.270737|1.345374|1.405478|1.476210|1.476989|1.531427|2.290933|1.883937|2.019515|1.823829|2.250997|3.169454|2.736950|19.290641|4.337450|4.186050|4.705538|6.909375|10.646236|6.921383|4.711830|388.023441|
|1.242467|1.281573|1.355472|1.393745|1.344203|1.269523|1.359055|1.423444|1.482595|1.467117|1.504752|2.227984|1.834114|1.929288|1.731488|2.161640|2.991738|2.562761|18.358935|3.969994|3.710977|3.861678|5.014389|7.385995|6.461595|4.421572|93.603113|73.516695|
|1.196623|1.249273|1.325984|1.348254|1.283074|1.211095|1.283973|1.346476|1.422469|1.424733|1.491206|2.221923|1.806852|1.937614|1.774866|2.198837|2.995200|2.578939|18.722674|3.965603|3.709254|4.433688|6.511224|7.382447|4.985156|3.850188|93.623301|13.772002|73.516695|
|1.229222|1.276512|1.338554|1.351469|1.296114|1.237964|1.288745|1.332167|1.392400|1.403861|1.450070|2.174008|1.778116|1.920952|1.750482|2.154029|3.023123|2.542251|17.206831|4.094627|3.810142|4.188499|5.634236|7.466801|5.757484|4.237892|85.445499|13.273389|13.259505|53.358707|
|1.137669|1.176565|1.226808|1.237105|1.192451|1.144858|1.187011|1.222773|1.270950|1.279401|1.316443|1.955810|1.581897|1.695200|1.562883|1.941418|2.622042|2.159173|14.725509|3.390787|3.009584|3.258588|4.101392|4.938668|4.164263|3.289340|53.178628|10.577461|10.574534|19.417830|36.858105|
|1.119248|1.156324|1.197782|1.200635|1.159617|1.120952|1.148802|1.175273|1.217899|1.231949|1.264471|1.879173|1.512771|1.625981|1.509487|1.874832|2.509576|2.029945|13.600014|3.189602|2.749625|2.928603|3.496274|3.996126|3.560022|2.964693|36.021729|7.641946|7.635349|11.407089|14.075267|53.358707|
|1.042828|1.073881|1.108241|1.110580|1.076616|1.044259|1.067999|1.090441|1.125637|1.136716|1.163677|1.716715|1.370774|1.463160|1.369031|1.713759|2.228656|1.782015|12.044613|2.748269|2.314309|2.448048|2.849148|3.173694|2.888841|2.472341|28.118614|6.339071|6.336475|7.492045|8.389122|19.853399|36.858105|
|0.988373|1.015747|1.049795|1.056155|1.025719|0.993005|1.022160|1.046845|1.079142|1.084538|1.109585|1.626141|1.293400|1.370020|1.284518|1.618707|2.067447|1.655038|11.381318|2.515260|2.111855|2.239046|2.612499|2.906777|2.637622|2.254424|26.636736|6.249195|6.250600|6.415891|7.036508|10.888295|13.728307|36.858105|
|1.006468|1.035240|1.075522|1.087169|1.054221|1.015043|1.054693|1.086218|1.122264|1.123351|1.151440|1.686451|1.345641|1.421627|1.326492|1.672201|2.147220|1.739008|12.125214|2.637494|2.249382|2.406077|2.878785|3.267641|2.898611|2.417531|32.398700|7.707995|7.715429|7.382141|8.374376|9.629903|8.194661|13.768936|36.858105|
|1.074015|1.107818|1.156252|1.170908|1.131475|1.084574|1.132209|1.170150|1.213835|1.214947|1.248820|1.839426|1.479000|1.568992|1.452394|1.820261|2.393744|1.966737|13.724876|3.018406|2.642365|2.858348|3.556399|4.198744|3.582569|2.871959|47.156797|10.620280|10.634896|11.066671|14.143993|10.935331|7.103251|8.022803|14.557895|53.358707|
|17.713950|8.824605|5.643602|4.904482|5.612433|9.000945|4.152950|3.293729|3.132216|3.582079|3.041916|3.992728|2.754078|2.531641|2.557072|3.783345|3.107063|1.994149|13.143212|2.529172|1.645029|1.502242|1.365757|1.342157|1.441199|1.604436|8.513773|2.109667|2.030768|1.607632|1.097980|1.476792|1.014116|0.960674|0.974759|1.410772|0.500000|
|8.832455|17.715558|9.019223|5.611979|4.927959|5.659132|3.602599|3.129577|3.287747|4.127020|3.828805|5.232914|3.397771|3.195252|3.447983|5.278057|3.747128|2.315829|15.051111|2.877135|1.827762|1.678515|1.501024|1.448329|1.541087|1.735035|9.075754|2.219218|2.179696|1.711728|1.161507|1.560310|1.065853|1.006105|1.022006|1.485690|0.213646|0.500000|
|5.637499|9.047051|17.756932|8.799463|5.591509|4.941167|4.135261|3.908413|4.654256|6.942727|7.221484|9.752366|5.306758|4.603473|5.225495|9.490830|4.832453|2.901351|19.268497|3.417679|2.124576|1.944067|1.708706|1.628365|1.730741|1.976847|10.049688|2.451507|2.427848|1.865421|1.252948|1.663773|1.128817|1.068109|1.094934|1.604921|0.124350|0.218530|0.500000|
|8.995263|5.633506|4.936720|5.587126|8.847607|17.703526|7.102132|4.726021|3.953681|4.140833|3.197412|4.003415|2.828887|2.481486|2.401907|3.568810|3.056251|2.009431|13.592893|2.531026|1.665027|1.508378|1.379526|1.370460|1.485251|1.650034|8.710734|2.186781|2.071551|1.626765|1.109683|1.480584|1.016477|0.968363|0.988909|1.434265|0.216195|0.124130|0.107306|0.500000|
|4.716136|3.946572|4.152333|5.579187|8.829662|7.092786|17.705671|9.005497|5.630761|4.908205|3.531604|4.217031|3.039846|2.550721|2.392155|3.572661|3.133590|2.115962|14.851167|2.627513|1.746805|1.576336|1.446443|1.445082|1.574053|1.746306|9.179600|2.329416|2.185231|1.688371|1.147753|1.515094|1.038307|0.995234|1.025245|1.493125|0.111867|0.089929|0.095639|0.216423|0.500000|
|3.291586|3.129870|3.591881|4.906615|5.614150|4.154579|9.006091|17.720589|8.826820|5.629481|4.106724|4.681513|3.415754|2.753277|2.528878|3.803727|3.348285|2.326455|17.202097|2.822783|1.892314|1.711107|1.569234|1.564320|1.700951|1.886972|9.896759|2.525065|2.371076|1.787411|1.208319|1.576081|1.076608|1.037686|1.079510|1.581448|0.079038|0.074053|0.089208|0.111910|0.215960|0.500000|
|3.129820|3.284465|4.130478|5.613122|4.934597|3.608510|5.668571|8.851183|17.706920|9.023859|7.161684|7.142716|4.941680|3.662387|3.365858|5.313564|4.176401|2.878332|22.254716|3.322136|2.180451|1.981295|1.780860|1.736246|1.867917|2.104360|10.791830|2.714919|2.613666|1.930199|1.292327|1.675868|1.137269|1.093995|1.143084|1.686545|0.074073|0.078816|0.110218|0.090089|0.124307|0.214920|0.500000|
|3.079715|3.529131|4.713382|5.531784|4.162386|3.256969|3.999086|4.808615|7.475350|8.931627|17.588354|12.492613|6.600026|4.782737|4.800169|8.646643|4.939011|3.274473|25.384001|3.638596|2.323975|2.146958|1.890350|1.792947|1.894300|2.153582|11.021556|2.715464|2.699694|1.978562|1.319384|1.714967|1.160162|1.111104|1.158454|1.712365|0.073019|0.087546|0.142776|0.078692|0.090964|0.115010|0.232767|0.500000|
|3.682931|4.572778|6.631276|6.736839|4.573603|3.687042|3.948515|4.260602|5.872508|8.828600|17.638452|12.783248|5.755594|4.580541|5.179964|10.744221|4.668193|2.957577|21.380375|3.372231|2.134078|1.982704|1.746849|1.652500|1.738423|1.970851|10.215849|2.498887|2.499404|1.862648|1.248890|1.639643|1.112741|1.061456|1.097971|1.614103|0.085776|0.113882|0.227891|0.085896|0.089976|0.098891|0.151618|0.303421|0.500000|
|3.153961|3.515790|4.429006|5.070944|4.139604|3.345093|3.977064|4.500513|5.798978|6.388441|6.764434|12.275002|17.831995|8.600422|5.871338|8.040523|8.790223|5.463658|38.358308|5.619066|3.332938|2.850216|2.417697|2.318434|2.559612|3.092837|13.651672|3.369449|3.248428|2.447779|1.598829|2.071577|1.379147|1.305113|1.362594|2.041468|0.075439|0.087338|0.127247|0.081741|0.092808|0.109404|0.159306|0.174655|0.139163|0.500000|
|2.619596|3.164269|3.674461|3.284612|2.689192|2.467771|2.396340|2.462630|2.898285|3.455798|4.303367|8.305273|5.885364|8.525914|17.779044|12.549730|8.835391|4.839792|29.381058|5.379707|3.112014|2.928793|2.418004|2.172308|2.244292|2.634370|12.880195|3.023176|3.152070|2.387796|1.569673|2.074325|1.382730|1.293378|1.330467|1.979041|0.066000|0.089317|0.123588|0.060552|0.059193|0.061591|0.078922|0.107820|0.118514|0.123765|0.500000|
|2.560018|2.886181|3.212400|3.085081|2.698462|2.493878|2.480797|2.533427|2.846251|3.183839|3.461513|6.313251|6.077556|9.304291|6.512990|6.412083|26.030431|9.426429|37.995140|11.001864|5.035959|4.078564|3.176830|2.921444|3.218006|4.166174|16.323902|3.837218|3.816788|3.045511|1.945456|2.564561|1.671152|1.537868|1.584086|2.396070|0.065108|0.078596|0.096260|0.062614|0.062366|0.064374|0.076998|0.088661|0.087220|0.147574|0.168041|0.500000|
|2.057921|2.233879|2.418920|2.386699|2.177082|2.036837|2.072988|2.132967|2.329266|2.480072|2.634613|4.412276|4.016008|5.078932|4.044483|4.405516|11.040571|9.501967|38.054749|26.008458|9.263987|6.297100|4.511641|4.106167|4.666886|6.737663|21.218820|4.852104|4.805551|3.985999|2.450406|3.202670|2.029036|1.837832|1.902169|2.938480|0.053403|0.060934|0.070611|0.052549|0.053358|0.055828|0.064388|0.070350|0.067052|0.107380|0.110442|0.261599|0.500000|
|1.606367|1.737609|1.889301|1.881503|1.718765|1.599679|1.670343|1.756171|1.931441|2.011394|2.203067|3.519147|2.970657|3.527136|3.152773|3.602785|6.029907|5.858091|37.972253|9.746508|8.942996|17.731506|8.892276|5.642622|4.950969|5.650624|27.651984|5.759341|6.888944|4.842340|2.886608|3.600309|2.253653|2.072073|2.206723|3.498527|0.041930|0.047636|0.055717|0.041653|0.043246|0.046913|0.055209|0.061523|0.057237|0.079335|0.089699|0.116222|0.164694|0.500000|
|1.354040|1.435984|1.537714|1.547253|1.446598|1.358780|1.427992|1.498476|1.611462|1.641984|1.753538|2.684620|2.209976|2.462285|2.245164|2.699724|3.941359|3.534046|24.976030|5.659489|5.651175|8.893025|17.762722|8.965965|5.660346|4.959179|47.193071|8.260643|13.370975|7.458007|4.160186|4.794026|2.903026|2.691535|2.987579|5.013928|0.035699|0.039310|0.044587|0.035902|0.037533|0.040688|0.046197|0.049377|0.045861|0.060834|0.063146|0.077959|0.104034|0.213203|0.500000|
|1.475296|1.522982|1.615592|1.665194|1.603997|1.510134|1.615131|1.685841|1.757143|1.746810|1.777450|2.683695|2.280331|2.420242|2.095176|2.572692|3.915276|3.435651|23.125756|5.679719|5.646866|4.953337|5.658564|8.958800|17.760859|8.894601|47.284204|13.106350|8.187562|7.730082|4.275509|4.951565|2.977208|2.739560|3.025721|5.081688|0.038945|0.041003|0.045501|0.040475|0.043057|0.046354|0.049836|0.049549|0.045521|0.066249|0.056464|0.079382|0.108467|0.107550|0.124760|0.500000|
|1.821531|1.899007|2.040215|2.107478|2.004092|1.865484|1.996466|2.084091|2.200974|2.215697|2.252269|3.518473|3.150715|3.407330|2.772619|3.316308|5.937824|5.443463|32.316197|9.850930|8.935260|5.649429|4.955025|5.646245|8.898833|17.710826|27.686814|6.860194|5.737251|4.913642|2.923683|3.663722|2.286825|2.093253|2.221879|3.521475|0.047499|0.050743|0.057540|0.049357|0.052451|0.056350|0.061833|0.061898|0.056600|0.092764|0.073055|0.121038|0.183985|0.124431|0.107622|0.213401|0.500000|
|1.027045|1.056702|1.085670|1.083873|1.052219|1.025236|1.040681|1.057935|1.089977|1.103893|1.128244|1.663595|1.323593|1.414015|1.329439|1.665698|2.147340|1.698392|11.386995|2.612459|2.162615|2.267296|2.573162|2.809960|2.610205|2.291662|23.548641|5.365935|5.362859|6.034665|5.886638|12.809295|17.627415|8.886146|5.731207|6.892365|0.027831|0.029216|0.030698|0.027746|0.028144|0.028962|0.030483|0.031139|0.030054|0.036891|0.037406|0.044998|0.054113|0.058579|0.072459|0.074358|0.059535|0.500000|
|0.938922|0.963036|0.992651|0.997992|0.971440|0.942860|0.968378|0.989994|1.018023|1.022636|1.044468|1.524129|1.206038|1.272868|1.199350|1.518297|1.906685|1.514538|10.440648|2.280523|1.888062|1.990484|2.280831|2.498329|2.299880|2.002783|22.088798|5.287878|5.289293|5.069489|5.038591|7.731728|8.789070|17.745488|8.800841|7.741395|0.025406|0.026523|0.028022|0.025589|0.026246|0.027284|0.028641|0.029046|0.027827|0.033787|0.033561|0.039407|0.046388|0.051685|0.065283|0.066293|0.052170|0.210580|0.500000|
|0.966380|0.992470|1.031720|1.045520|1.015350|0.976667|1.018992|1.051488|1.085017|1.082394|1.108717|1.615134|1.283828|1.348326|1.261261|1.598622|2.020374|1.633186|11.522256|2.446988|2.070111|2.209517|2.616706|2.935809|2.626709|2.215624|28.541697|7.085698|7.095794|5.939975|5.887165|6.875262|5.726683|8.882997|17.645368|12.801781|0.025996|0.027184|0.029150|0.026469|0.027550|0.029113|0.030769|0.031080|0.029390|0.036174|0.035070|0.041206|0.048782|0.056715|0.075739|0.076267|0.056941|0.124378|0.210172|0.500000|
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